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#\#CIF_1.0 ################################################################################ # # # This CIF is a part of the B-IncStrDB # # (Bilbao Incommensurate Structures Database) # # http://www.cryst.ehu.eus/bincstrdb/ # # # # Please note that the structure of the CIF file may differ from the one # # deposited, as it may have been modified to comply with the standard. The # # file has been validated against official dictionaries as well as local # # dictionaries including non-standard data names used by SHELXL (Sheldrick, # # G. M. (2008). Acta Cryst. A 64, 112-122) and JANA (Petricek, V., Dusek, M. # # and Palatinus, L. (2014), Z. Kristallogr. 229, 345-352). # # # # For comments and/or criticisms, please e-mail to administrador-bcs@ehu.es # # # ################################################################################ data_global loop_ _publ_author_name _publ_author_address 'Zakhour-Nakhl, Mirvat' ;Institut de Chimie de la Matiere Condensee de Bordeaux (ICMCB-CNRS) Avenue du Dr. Schweitzer 33608 Pessac Cedex France ; 'Claridge, John B.' ;Department of Chemistry and Biochemistry University of South Carolina Columbia South Carolina 29208 ; 'Darriet, J.' ;Institut de Chimie de la Matiere Condensee de Bordeaux (ICMCB-CNRS) Avenue du Dr. Schweitzer 33608 Pessac Cedex France ; 'Weill, Francois' ;Institut de Chimie de la Matiere Condensee de Bordeaux (ICMCB-CNRS) Avenue du Dr. Schweitzer 33608 Pessac Cedex France ; 'zur Loye, Hans-Conrad' ;Department of Chemistry and Biochemistry University of South Carolina Columbia South Carolina 29208 ; 'Perez-Mato, Juan Manuel' ;Departamento de Fisica de la Material Condensada Facultad de Ciencias UniVersidad del Pais Vasco Apdo 644 48080 Bilbao Spain ; _publ_section_title ;Structure Determination of Two New Incommensurate Compounds, Ba~1+x~[(Cu~x~Rh~1-x~)O~3~] with x=0.1605 and x=0.1695, Using a General Method Based on the Superspace Group Approach ; _journal_name_full 'Journal of the American Chemical Society' _journal_volume 122 _journal_page_first 1618 _journal_page_last 1623 _journal_year 2000 _journal_paper_doi https://doi.org/10.1021/ja993532s # ja993532s.cif data_Ba1_1605Cu0_1605Rh0_8395O3_Crystal_1 _exptl_crystal_type_of_structure comp _cell_length_a 10.081 _cell_length_b 10.081 _cell_length_c 2.6206 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 230.642 _cell_measurement_pressure ? _cell_measurement_radiation 'Mo k\a' _cell_measurement_reflns_used 25 _cell_measurement_temperature 293 _cell_measurement_theta_max 15 _cell_measurement_theta_min 30 _cell_measurement_wavelength 0.71073 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.00000 0.00000 0.58027 _cell_subsystems_number 2 loop_ _cell_subsystem_code _cell_subsystem_description _cell_subsystem_matrix_W_1_1 _cell_subsystem_matrix_W_1_2 _cell_subsystem_matrix_W_1_3 _cell_subsystem_matrix_W_1_4 _cell_subsystem_matrix_W_2_1 _cell_subsystem_matrix_W_2_2 _cell_subsystem_matrix_W_2_3 _cell_subsystem_matrix_W_2_4 _cell_subsystem_matrix_W_3_1 _cell_subsystem_matrix_W_3_2 _cell_subsystem_matrix_W_3_3 _cell_subsystem_matrix_W_3_4 _cell_subsystem_matrix_W_4_1 _cell_subsystem_matrix_W_4_2 _cell_subsystem_matrix_W_4_3 _cell_subsystem_matrix_W_4_4 1 '1st subsystem' 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 2 '2nd subsystem' 1 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 _cell_formula_units_Z 3 _space_group_crystal_system trigonal _space_group_ssg_name_IT R-3m(00\g)0s loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x2,x1-x2,x3,x4 3 -x2,-x1,x3,1/2+x4 4 -x1+x2,-x1,x3,x4 5 x1,x1-x2,x3,1/2+x4 6 -x1+x2,x2,x3,1/2+x4 7 -x1,-x2,-x3,-x4 8 x2,-x1+x2,-x3,-x4 9 x2,x1,-x3,1/2-x4 10 x1-x2,x1,-x3,-x4 11 -x1,-x1+x2,-x3,1/2-x4 12 x1-x2,-x2,-x3,1/2-x4 13 2/3+x1,1/3+x2,1/3+x3,x4 14 2/3-x2,1/3+x1-x2,1/3+x3,x4 15 2/3-x2,1/3-x1,1/3+x3,1/2+x4 16 2/3-x1+x2,1/3-x1,1/3+x3,x4 17 2/3+x1,1/3+x1-x2,1/3+x3,1/2+x4 18 2/3-x1+x2,1/3+x2,1/3+x3,1/2+x4 19 2/3-x1,1/3-x2,1/3-x3,-x4 20 2/3+x2,1/3-x1+x2,1/3-x3,-x4 21 2/3+x2,1/3+x1,1/3-x3,1/2-x4 22 2/3+x1-x2,1/3+x1,1/3-x3,-x4 23 2/3-x1,1/3-x1+x2,1/3-x3,1/2-x4 24 2/3+x1-x2,1/3-x2,1/3-x3,1/2-x4 25 1/3+x1,2/3+x2,2/3+x3,x4 26 1/3-x2,2/3+x1-x2,2/3+x3,x4 27 1/3-x2,2/3-x1,2/3+x3,1/2+x4 28 1/3-x1+x2,2/3-x1,2/3+x3,x4 29 1/3+x1,2/3+x1-x2,2/3+x3,1/2+x4 30 1/3-x1+x2,2/3+x2,2/3+x3,1/2+x4 31 1/3-x1,2/3-x2,2/3-x3,-x4 32 1/3+x2,2/3-x1+x2,2/3-x3,-x4 33 1/3+x2,2/3+x1,2/3-x3,1/2-x4 34 1/3+x1-x2,2/3+x1,2/3-x3,-x4 35 1/3-x1,2/3-x1+x2,2/3-x3,1/2-x4 36 1/3+x1-x2,2/3-x2,2/3-x3,1/2-x4 loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_versus_stol_list Ba 0 42 -0.324 2.282 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 56.000 54.357 51.112 47.840 44.595 41.453 38.589 36.060 33.823 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 31.808 29.956 28.238 26.644 25.177 23.839 22.630 21.546 20.577 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 19.712 18.937 18.238 17.600 17.013 16.465 15.947 15.452 14.974 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 14.509 14.054 13.607 13.167 12.735 12.308 11.889 11.476 11.071 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 10.675 10.287 9.908 9.540 9.181 8.833 8.496 8.171 7.857 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 7.554 7.264 6.985 6.718 6.463 6.220 5.988 5.768 5.559 ; Cu 0 6 0.320 1.265 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 29.000 28.454 27.096 25.359 23.530 21.695 19.881 18.136 16.506 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 15.024 13.701 12.534 11.514 10.629 9.868 9.216 8.661 8.191 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 7.792 7.452 7.161 6.907 6.682 6.478 6.290 6.113 5.944 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 5.780 5.620 5.462 5.307 5.153 5.001 4.850 4.702 4.555 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 4.411 4.269 4.130 3.993 3.860 3.729 3.603 3.479 3.360 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 3.244 3.131 3.023 2.919 2.818 2.722 2.629 2.541 2.456 ; Rh 0 30 -1.118 0.919 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 45.000 44.091 41.833 39.013 36.089 33.267 30.673 28.370 26.366 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 24.642 23.165 21.897 20.795 19.820 18.935 18.113 17.331 16.577 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 15.844 15.129 14.433 13.756 13.101 12.470 11.866 11.291 10.746 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 10.233 9.751 9.302 8.885 8.500 8.146 7.822 7.527 7.260 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 7.018 6.802 6.608 6.436 6.283 6.148 6.030 5.926 5.836 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 5.758 5.690 5.632 5.582 5.540 5.504 5.474 5.448 5.426 ; O 0 108 0.011 0.006 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 8.000 7.798 7.246 6.472 5.623 4.808 4.089 3.489 3.006 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 2.628 2.337 2.115 1.946 1.816 1.715 1.634 1.568 1.512 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 1.463 1.419 1.377 1.337 1.298 1.260 1.221 1.183 1.145 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 1.108 1.070 1.033 0.997 0.961 0.926 0.891 0.857 0.824 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 0.792 0.761 0.731 0.702 0.674 0.647 0.621 0.597 0.573 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 0.551 0.530 0.509 0.490 0.472 0.455 0.439 0.424 0.410 ; _chemical_formula_sum 'Ba1.1605 Cu0.1605 Rh0.8398 O3' _chemical_formula_weight 303.97 _exptl_crystal_colour Black _exptl_crystal_description needle _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.017 _exptl_crystal_size_min 0.007 _exptl_crystal_size_rad ? _exptl_crystal_density_meas 6.563 _exptl_crystal_density_meas_temp ? _exptl_crystal_density_method ? _exptl_crystal_F_000 394 _exptl_absorpt_correction_type analytical _exptl_absorpt_correction_T_min 0.64 _exptl_absorpt_correction_T_max 0.87 _exptl_absorpt_coefficient_mu 20.144 _diffrn_measurement_device Enraf-Nonius _diffrn_measurement_device_type CAD4 _diffrn_measurement_method w _diffrn_radiation_probe 'x-ray' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_standards_number 3 _diffrn_standards_decay_% ? _diffrn_standards_interval_count 200 _diffrn_standards_interval_time 60 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -2 _diffrn_reflns_limit_l_max 4 _diffrn_reflns_limit_index_m_1_min -3 _diffrn_reflns_limit_index_m_1_max 7 _reflns_limit_h_min -13 _reflns_limit_h_max 10 _reflns_limit_k_min -12 _reflns_limit_k_max 16 _reflns_limit_l_min 0 _reflns_limit_l_max 4 _reflns_limit_index_m_1_min -6 _reflns_limit_index_m_1_max 7 _diffrn_reflns_number 2346 _diffrn_reflns_theta_min 2.65 _diffrn_reflns_theta_max 34.94 _diffrn_reflns_av_R_equivalents 0.0265 _diffrn_reflns_av_unetI/netI 0.0139 _reflns_threshold_expression 3\s _reflns_number_total 864 _reflns_number_gt 864 _refine_ls_structure_factor_coef F _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_R_factor_gt 0.0370 _refine_ls_wR_factor_gt 0.0487 _refine_ls_R_factor_all 0.0370 _refine_ls_wR_factor_all 0.0487 _refine_ls_number_reflns 864 _refine_ls_number_parameters 39 _refine_ls_goodness_of_fit_all 2.91 _refine_ls_goodness_of_fit_gt 2.91 _refine_ls_shift/su_max 0.0052 _refine_ls_shift/su_mean 0.0008 _refine_diff_density_max 4.31 _refine_diff_density_min -3.53 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic' _refine_ls_extinction_coef 0.037(2) _refine_special_details ;WARNING: Dubious CIF. Check the structural parameters against the publication. Atomic occupancies are unrealiable. ; loop_ _atom_site_label _atom_site_type_symbol _atom_site_subsystem_code _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Rh1 Rh 1 6 1 0 0 0 0.0092(1) Cu1 Cu 1 6 1 0 0 0 0.040(2) O O 1 18 1 0.1517(3) 0.1517(3) 0.5 0.025(1) Ba1 Ba 2 18 1 0.32667(7) 0 0.25 0.0180(2) Ba2 Ba 2 18 1 0.35205(9) 0 0.25 0.0067(2) loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Rh1 0.0074(1) 0.0074(1) 0.0126(2) 0.00371(6) 0 0 Cu1 0.033(1) 0.033(1) 0.054(4) 0.0163(7) 0 0 O 0.021(1) 0.021(1) 0.022(2) 0.002(1) -0.0017(8) 0.0017(8) Ba1 0.0153(3) 0.0239(4) 0.0176(2) 0.0120(2) 0.0052(1) 0.0105(2) Ba2 0.0082(2) 0.0071(3) 0.0044(2) 0.0036(2) -0.0014(1) -0.0028(2) loop_ _atom_site_displace_special_func_atom_site_label _atom_site_displace_special_func_sawtooth_ax _atom_site_displace_special_func_sawtooth_ay _atom_site_displace_special_func_sawtooth_az _atom_site_displace_special_func_sawtooth_c _atom_site_displace_special_func_sawtooth_w Rh1 0 0 -0.0910 0 0.4197 Cu1 0 0 -0.0968 0.25 0.0802 O 0 0 -0.1497 0.25 0.5 Ba1 0 0 -0.0301 0.5 0.1950 Ba2 0 0 -0.0367 0 0.1383 loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_y _atom_site_Fourier_wave_vector_z 1 0.00000 0.00000 0.58027 2 0.00000 0.00000 1.16054 loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id Rh1x1 Rh1 x 1 Rh1y1 Rh1 y 1 Rh1z1 Rh1 z 1 Rh1x2 Rh1 x 2 Rh1y2 Rh1 y 2 Rh1z2 Rh1 z 2 Ox1 O x 1 Oy1 O y 1 Oz1 O z 1 Ox2 O x 2 Oy2 O y 2 Oz2 O z 2 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Rh1x1 0 0 Rh1y1 0 0 Rh1z1 0 -0.0061(3) Rh1x2 0 0 Rh1y2 0 0 Rh1z2 0 0.0160(4) Ox1 0.0000(2) -0.0089(4) Oy1 0.0000(2) -0.0089(4) Oz1 -0.023(2) 0 Ox2 0.0047(6) 0.0015(3) Oy2 0.0047(6) -0.0015(3) Oz2 0 -0.013(2) loop_ _atom_site_U_Fourier_id _atom_site_U_Fourier_atom_site_label _atom_site_U_Fourier_tens_elem _atom_site_U_Fourier_wave_vector_seq_id Rh1U11 Rh1 U11 1 Rh1U22 Rh1 U22 1 Rh1U33 Rh1 U33 1 Rh1U12 Rh1 U12 1 Rh1U13 Rh1 U13 1 Rh1U23 Rh1 U23 1 OU11 O U11 1 OU22 O U22 1 OU33 O U33 1 OU12 O U12 1 OU13 O U13 1 OU23 O U23 1 loop_ _atom_site_U_Fourier_param_id _atom_site_U_Fourier_param_cos _atom_site_U_Fourier_param_sin Rh1U11 -0.0001(2) 0 Rh1U22 -0.0001(2) 0 Rh1U33 -0.0060(3) 0 Rh1U12 -0.00003(9) 0 Rh1U13 0 0 Rh1U23 0 0 OU11 -0.003(1) 0.013(1) OU22 0.003(1) 0.013(1) OU33 0 0.015(2) OU12 0 0.002(2) OU13 0.009(1) -0.002(1) OU23 0.009(1) 0.002(1) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 Rh1 Rh1 2.6206 . 1_554 Rh1 Rh1 2.6206 . 1_556 Rh1 Rh1 2.6206 . 3_554 Rh1 Rh1 2.6206 . 3_556 Rh1 O 4.2180(7) . 1_553 Rh1 O 2.014(2) . 1_554 Rh1 O 2.014(2) . . Rh1 O 4.2180(7) . 1_556 Rh1 O 4.581(3) . 19_444 Rh1 O 5.056(2) . 19_445 Rh1 O 5.056(2) . 37_443 Rh1 O 4.581(3) . 37_444 Rh1 O 4.2180(7) . 7_554 Rh1 O 2.014(2) . 7_555 Rh1 O 2.014(2) . 7_556 Rh1 O 4.2180(7) . 7_557 Rh1 O 4.581(3) . 25_555 Rh1 O 5.056(2) . 25_556 Rh1 O 5.056(2) . 43_554 Rh1 O 4.581(3) . 43_555 Rh1 O 4.218(1) . 2_553 Rh1 O 2.014(3) . 2_554 Rh1 O 2.014(3) . 2_555 Rh1 O 4.218(1) . 2_556 Rh1 O 4.581(2) . 20_554 Rh1 O 5.056(2) . 20_555 Rh1 O 5.056(4) . 38_543 Rh1 O 4.581(4) . 38_544 Rh1 O 4.218(1) . 8_554 Rh1 O 2.014(3) . 8_555 Rh1 O 2.014(3) . 8_556 Rh1 O 4.218(1) . 8_557 Rh1 O 4.581(4) . 26_455 Rh1 O 5.056(4) . 26_456 Rh1 O 5.056(2) . 44_444 Rh1 O 4.581(2) . 44_445 Rh1 O 4.218(1) . 4_553 Rh1 O 2.014(3) . 4_554 Rh1 O 2.014(3) . 4_555 Rh1 O 4.218(1) . 4_556 Rh1 O 4.581(4) . 22_454 Rh1 O 5.056(4) . 22_455 Rh1 O 5.056(2) . 40_553 Rh1 O 4.581(2) . 40_554 Rh1 O 4.218(1) . 10_554 Rh1 O 2.014(3) . 10_555 Rh1 O 2.014(3) . 10_556 Rh1 O 4.218(1) . 10_557 Rh1 O 4.581(2) . 28_445 Rh1 O 5.056(2) . 28_446 Rh1 O 5.056(4) . 46_544 Rh1 O 4.581(4) . 46_545 Rh1 Ba1 3.2931 . 1_554 Rh1 Ba1 3.2931 . . Rh1 Ba1 3.2931 . 1_556 Rh1 Ba1 3.3944 . 19_455 Rh1 Ba1 3.3944 . 19_456 Rh1 Ba1 3.3944 . 37_445 Rh1 Ba1 3.3944 . 37_446 Rh1 Ba1 3.2931 . 7_555 Rh1 Ba1 3.2931 . 7_556 Rh1 Ba1 3.2931 . 7_557 Rh1 Ba1 3.3944 . 25_555 Rh1 Ba1 3.3944 . 25_556 Rh1 Ba1 3.3944 . 25_557 Rh1 Ba1 3.3944 . 43_545 Rh1 Ba1 3.3944 . 43_546 Rh1 Ba1 3.3944 . 43_547 Rh1 Ba1 3.2931 . 2_554 Rh1 Ba1 3.2931 . 2_555 Rh1 Ba1 3.2931 . 2_556 Rh1 Ba1 3.3944 . 20_445 Rh1 Ba1 3.3944 . 20_446 Rh1 Ba1 3.3944 . 38_545 Rh1 Ba1 3.3944 . 38_546 Rh1 Ba1 3.2931 . 8_555 Rh1 Ba1 3.2931 . 8_556 Rh1 Ba1 3.2931 . 8_557 Rh1 Ba1 3.3944 . 26_455 Rh1 Ba1 3.3944 . 26_456 Rh1 Ba1 3.3944 . 26_457 Rh1 Ba1 3.3944 . 44_555 Rh1 Ba1 3.3944 . 44_556 Rh1 Ba1 3.3944 . 44_557 Rh1 Ba1 3.2931 . 4_554 Rh1 Ba1 3.2931 . 4_555 Rh1 Ba1 3.2931 . 4_556 Rh1 Ba1 3.3944 . 22_555 Rh1 Ba1 3.3944 . 22_556 Rh1 Ba1 3.3944 . 40_555 Rh1 Ba1 3.3944 . 40_556 Rh1 Ba1 3.2931 . 10_555 Rh1 Ba1 3.2931 . 10_556 Rh1 Ba1 3.2931 . 10_557 Rh1 Ba1 3.3944 . 28_445 Rh1 Ba1 3.3944 . 28_446 Rh1 Ba1 3.3944 . 28_447 Rh1 Ba1 3.3944 . 46_445 Rh1 Ba1 3.3944 . 46_446 Rh1 Ba1 3.3944 . 46_447 Rh1 Ba2 3.5491 . 1_554 Rh1 Ba2 3.5491 . . Rh1 Ba2 3.5491 . 1_556 Rh1 Ba2 3.2701 . 19_454 Rh1 Ba2 3.2701 . 19_455 Rh1 Ba2 3.2701 . 19_456 Rh1 Ba2 3.2701 . 37_444 Rh1 Ba2 3.2701 . 37_445 Rh1 Ba2 3.2701 . 37_446 Rh1 Ba2 3.5491 . 7_555 Rh1 Ba2 3.5491 . 7_556 Rh1 Ba2 3.5491 . 7_557 Rh1 Ba2 3.2701 . 25_555 Rh1 Ba2 3.2701 . 25_556 Rh1 Ba2 3.2701 . 25_557 Rh1 Ba2 3.2701 . 43_545 Rh1 Ba2 3.2701 . 43_546 Rh1 Ba2 3.2701 . 43_547 Rh1 Ba2 3.5491 . 2_554 Rh1 Ba2 3.5491 . 2_555 Rh1 Ba2 3.5491 . 2_556 Rh1 Ba2 3.2701 . 20_444 Rh1 Ba2 3.2701 . 20_445 Rh1 Ba2 3.2701 . 20_446 Rh1 Ba2 3.2701 . 38_544 Rh1 Ba2 3.2701 . 38_545 Rh1 Ba2 3.2701 . 38_546 Rh1 Ba2 3.5491 . 8_555 Rh1 Ba2 3.5491 . 8_556 Rh1 Ba2 3.5491 . 8_557 Rh1 Ba2 3.2701 . 26_455 Rh1 Ba2 3.2701 . 26_456 Rh1 Ba2 3.2701 . 26_457 Rh1 Ba2 3.2701 . 44_555 Rh1 Ba2 3.2701 . 44_556 Rh1 Ba2 3.2701 . 44_557 Rh1 Ba2 3.5491 . 4_554 Rh1 Ba2 3.5491 . 4_555 Rh1 Ba2 3.5491 . 4_556 Rh1 Ba2 3.2701 . 22_554 Rh1 Ba2 3.2701 . 22_555 Rh1 Ba2 3.2701 . 22_556 Rh1 Ba2 3.2701 . 40_554 Rh1 Ba2 3.2701 . 40_555 Rh1 Ba2 3.2701 . 40_556 Rh1 Ba2 3.5491 . 10_555 Rh1 Ba2 3.5491 . 10_556 Rh1 Ba2 3.5491 . 10_557 Rh1 Ba2 3.2701 . 28_445 Rh1 Ba2 3.2701 . 28_446 Rh1 Ba2 3.2701 . 28_447 Rh1 Ba2 3.2701 . 46_445 Rh1 Ba2 3.2701 . 46_446 Rh1 Ba2 3.2701 . 46_447 O Rh1 4.2180(7) . 1_554 O Rh1 2.014(2) . . O Rh1 2.014(2) . 1_556 O Rh1 4.2180(7) . 1_557 O Rh1 4.581(3) . 19_555 O Rh1 5.056(2) . 19_556 O Rh1 5.056(2) . 37_554 O Rh1 4.581(3) . 37_555 O Rh1 4.2180(7) . 3_554 O Rh1 2.014(2) . 3_555 O Rh1 2.014(2) . 3_556 O Rh1 4.2180(7) . 3_557 O Rh1 4.581(3) . 21_555 O Rh1 5.056(2) . 21_556 O Rh1 5.056(2) . 39_554 O Rh1 4.581(3) . 39_555 O O 5.2412 . 1_553 O O 2.6206 . 1_554 O O 2.6206 . 1_556 O O 5.2412 . 1_557 O O 4.028(2) . 7_555 O O 3.059(3) . 7_556 O O 4.028(2) . 7_557 O O 3.930(4) . 25_555 O O 3.627(4) . 25_556 O O 4.960(3) . 25_557 O O 4.960(3) . 43_554 O O 3.627(4) . 43_555 O O 3.930(4) . 43_556 O O 3.726(2) . 2_554 O O 2.649(4) . 2_555 O O 3.726(2) . 2_556 O O 5.398(2) . 20_553 O O 3.621(3) . 20_554 O O 3.289(3) . 20_555 O O 4.719(2) . 20_556 O O 5.122(5) . 38_544 O O 5.341(5) . 38_545 O O 5.122(5) . 38_554 O O 5.341(5) . 38_555 O O 5.460(2) . 8_554 O O 3.034(3) . 8_555 O O 1.530(5) . 8_556 O O 3.034(3) . 8_557 O O 5.460(2) . 8_558 O O 4.884(5) . 26_455 O O 4.643(5) . 26_456 O O 4.643(4) . 44_555 O O 4.884(4) . 44_556 O O 3.726(2) . 4_554 O O 2.649(4) . 4_555 O O 3.726(2) . 4_556 O O 5.341(5) . 22_454 O O 5.122(5) . 22_455 O O 5.341(5) . 22_554 O O 5.122(5) . 22_555 O O 4.719(2) . 40_553 O O 3.289(3) . 40_554 O O 3.621(3) . 40_555 O O 5.398(2) . 40_556 O O 5.460(2) . 10_554 O O 3.034(3) . 10_555 O O 1.530(5) . 10_556 O O 3.034(3) . 10_557 O O 5.460(2) . 10_558 O O 4.884(4) . 28_555 O O 4.643(4) . 28_556 O O 4.643(5) . 46_545 O O 4.884(5) . 46_546 O Ba1 2.8543 . . O Ba1 2.8543 . 1_556 O Ba1 2.8543 . 1_557 O Ba1 2.9706 . 19_455 O Ba1 2.9706 . 19_456 O Ba1 4.9238 . 37_445 O Ba1 4.9238 . 37_446 O Ba1 5.1579 . 37_555 O Ba1 5.1579 . 37_556 O Ba1 4.2686 . 7_555 O Ba1 4.2686 . 7_556 O Ba1 4.2686 . 7_557 O Ba1 1.8653 . 25_555 O Ba1 1.8653 . 25_556 O Ba1 1.8653 . 25_557 O Ba1 4.3472 . 43_545 O Ba1 4.3472 . 43_546 O Ba1 4.3472 . 43_547 O Ba1 2.8543 . 2_555 O Ba1 2.8543 . 2_556 O Ba1 2.8543 . 2_557 O Ba1 4.9238 . 20_445 O Ba1 4.9238 . 20_446 O Ba1 5.1579 . 20_555 O Ba1 5.1579 . 20_556 O Ba1 2.9706 . 38_545 O Ba1 2.9706 . 38_546 O Ba1 4.2686 . 8_555 O Ba1 4.2686 . 8_556 O Ba1 4.2686 . 8_557 O Ba1 4.3472 . 26_455 O Ba1 4.3472 . 26_456 O Ba1 4.3472 . 26_457 O Ba1 1.8653 . 44_555 O Ba1 1.8653 . 44_556 O Ba1 1.8653 . 44_557 O Ba1 4.8226 . 4_555 O Ba1 4.8226 . 4_556 O Ba1 2.9183 . 22_555 O Ba1 2.9183 . 22_556 O Ba1 2.9183 . 22_557 O Ba1 2.9183 . 40_555 O Ba1 2.9183 . 40_556 O Ba1 2.9183 . 40_557 O Ba1 1.7637 . 10_555 O Ba1 1.7637 . 10_556 O Ba1 1.7637 . 10_557 O Ba1 4.3825 . 28_445 O Ba1 4.3825 . 28_446 O Ba1 4.3825 . 28_447 O Ba1 4.3825 . 46_445 O Ba1 4.3825 . 46_446 O Ba1 4.3825 . 46_447 O Ba2 3.0833 . 1_554 O Ba2 3.0833 . . O Ba2 3.0833 . 1_556 O Ba2 3.0833 . 1_557 O Ba2 2.7576 . 19_454 O Ba2 2.7576 . 19_455 O Ba2 2.7576 . 19_456 O Ba2 2.7576 . 19_457 O Ba2 4.7982 . 37_445 O Ba2 4.7982 . 37_446 O Ba2 5.2881 . 37_555 O Ba2 5.2881 . 37_556 O Ba2 4.5126 . 7_555 O Ba2 4.5126 . 7_556 O Ba2 4.5126 . 7_557 O Ba2 1.7442 . 25_555 O Ba2 1.7442 . 25_556 O Ba2 1.7442 . 25_557 O Ba2 4.2966 . 43_545 O Ba2 4.2966 . 43_546 O Ba2 4.2966 . 43_547 O Ba2 3.0833 . 2_554 O Ba2 3.0833 . 2_555 O Ba2 3.0833 . 2_556 O Ba2 3.0833 . 2_557 O Ba2 4.7982 . 20_445 O Ba2 4.7982 . 20_446 O Ba2 5.2881 . 20_555 O Ba2 5.2881 . 20_556 O Ba2 2.7576 . 38_544 O Ba2 2.7576 . 38_545 O Ba2 2.7576 . 38_546 O Ba2 2.7576 . 38_547 O Ba2 4.5126 . 8_555 O Ba2 4.5126 . 8_556 O Ba2 4.5126 . 8_557 O Ba2 4.2966 . 26_455 O Ba2 4.2966 . 26_456 O Ba2 4.2966 . 26_457 O Ba2 1.7442 . 44_555 O Ba2 1.7442 . 44_556 O Ba2 1.7442 . 44_557 O Ba2 5.0785 . 4_555 O Ba2 5.0785 . 4_556 O Ba2 5.0025 . 4_665 O Ba2 5.0025 . 4_666 O Ba2 2.9104 . 22_554 O Ba2 2.9104 . 22_555 O Ba2 2.9104 . 22_556 O Ba2 2.9104 . 22_557 O Ba2 2.9104 . 40_554 O Ba2 2.9104 . 40_555 O Ba2 2.9104 . 40_556 O Ba2 2.9104 . 40_557 O Ba2 2.0196 . 10_555 O Ba2 2.0196 . 10_556 O Ba2 2.0196 . 10_557 O Ba2 4.1946 . 28_445 O Ba2 4.1946 . 28_446 O Ba2 4.1946 . 28_447 O Ba2 4.1946 . 46_445 O Ba2 4.1946 . 46_446 O Ba2 4.1946 . 46_447 Ba1 Rh1 3.2931 . . Ba1 Rh1 3.2931 . 1_556 Ba1 Rh1 3.2931 . 1_557 Ba1 Rh1 3.3944 . 19_554 Ba1 Rh1 3.3944 . 19_555 Ba1 Rh1 3.3944 . 19_556 Ba1 Rh1 3.3944 . 19_557 Ba1 Rh1 3.3944 . 37_544 Ba1 Rh1 3.3944 . 37_545 Ba1 Rh1 3.3944 . 37_546 Ba1 Rh1 3.3944 . 37_547 Ba1 Rh1 3.2931 . 3_555 Ba1 Rh1 3.2931 . 3_556 Ba1 Rh1 3.2931 . 3_557 Ba1 Rh1 3.3944 . 21_554 Ba1 Rh1 3.3944 . 21_555 Ba1 Rh1 3.3944 . 21_556 Ba1 Rh1 3.3944 . 21_557 Ba1 Rh1 3.3944 . 39_544 Ba1 Rh1 3.3944 . 39_545 Ba1 Rh1 3.3944 . 39_546 Ba1 Rh1 3.3944 . 39_547 Ba1 O 2.8543 . 1_554 Ba1 O 2.8543 . . Ba1 O 2.8543 . 1_556 Ba1 O 2.8543 . 1_557 Ba1 O 5.1579 . 19_445 Ba1 O 4.9238 . 19_554 Ba1 O 4.9238 . 19_555 Ba1 O 4.9238 . 19_556 Ba1 O 2.9706 . 37_543 Ba1 O 2.9706 . 37_544 Ba1 O 2.9706 . 37_545 Ba1 O 2.9706 . 37_546 Ba1 O 4.2686 . 7_555 Ba1 O 4.2686 . 7_556 Ba1 O 4.2686 . 7_557 Ba1 O 4.2686 . 7_558 Ba1 O 1.8653 . 25_554 Ba1 O 1.8653 . 25_555 Ba1 O 1.8653 . 25_556 Ba1 O 1.8653 . 25_557 Ba1 O 1.8653 . 25_558 Ba1 O 4.3472 . 43_545 Ba1 O 4.3472 . 43_546 Ba1 O 4.3472 . 43_547 Ba1 O 4.8226 . 2_555 Ba1 O 4.8226 . 2_556 Ba1 O 2.9183 . 20_553 Ba1 O 2.9183 . 20_554 Ba1 O 2.9183 . 20_555 Ba1 O 2.9183 . 20_556 Ba1 O 2.9183 . 20_557 Ba1 O 2.9183 . 38_543 Ba1 O 2.9183 . 38_544 Ba1 O 2.9183 . 38_545 Ba1 O 2.9183 . 38_546 Ba1 O 1.7637 . 8_555 Ba1 O 1.7637 . 8_556 Ba1 O 1.7637 . 8_557 Ba1 O 1.7637 . 8_558 Ba1 O 4.3825 . 26_555 Ba1 O 4.3825 . 26_556 Ba1 O 4.3825 . 26_557 Ba1 O 4.3825 . 44_545 Ba1 O 4.3825 . 44_546 Ba1 O 4.3825 . 44_547 Ba1 O 2.8543 . 4_554 Ba1 O 2.8543 . 4_555 Ba1 O 2.8543 . 4_556 Ba1 O 2.8543 . 4_557 Ba1 O 2.9706 . 22_553 Ba1 O 2.9706 . 22_554 Ba1 O 2.9706 . 22_555 Ba1 O 2.9706 . 22_556 Ba1 O 2.9706 . 22_557 Ba1 O 4.9238 . 40_544 Ba1 O 4.9238 . 40_545 Ba1 O 5.1579 . 40_555 Ba1 O 4.2686 . 10_555 Ba1 O 4.2686 . 10_556 Ba1 O 4.2686 . 10_557 Ba1 O 4.2686 . 10_558 Ba1 O 4.3472 . 28_555 Ba1 O 4.3472 . 28_556 Ba1 O 4.3472 . 28_557 Ba1 O 1.8653 . 46_544 Ba1 O 1.8653 . 46_545 Ba1 O 1.8653 . 46_546 Ba1 O 1.8653 . 46_547 Ba1 O 1.8653 . 46_548 Ba1 Ba1 4.5162 . 1_554 Ba1 Ba1 4.5162 . 1_556 Ba1 Ba1 4.1608(8) . 7_655 Ba1 Ba1 4.1608(8) . 7_656 Ba1 Ba1 3.9947(4) . 25_555 Ba1 Ba1 3.9947(4) . 25_556 Ba1 Ba1 3.9947(4) . 43_545 Ba1 Ba1 3.9947(4) . 43_546 Ba1 Ba1 4.5177 . 38_544 Ba1 Ba1 0.1164(9) . 38_545 Ba1 Ba1 4.5177 . 38_546 Ba1 Ba1 3.9930(4) . 8_555 Ba1 Ba1 3.9930(4) . 8_556 Ba1 Ba1 4.0769(6) . 26_555 Ba1 Ba1 4.0769(6) . 26_556 Ba1 Ba1 4.0769(6) . 44_555 Ba1 Ba1 4.0769(6) . 44_556 Ba1 Ba1 4.5177 . 22_554 Ba1 Ba1 0.1164(9) . 22_555 Ba1 Ba1 4.5177 . 22_556 Ba1 Ba1 3.9930(7) . 10_555 Ba1 Ba1 3.9930(7) . 10_556 Ba1 Ba1 4.0769(5) . 28_445 Ba1 Ba1 4.0769(5) . 28_446 Ba1 Ba1 4.0769(9) . 46_545 Ba1 Ba1 4.0769(9) . 46_546 Ba1 Ba2 4.5234(1) . 1_554 Ba1 Ba2 0.256(1) . . Ba1 Ba2 4.5234(1) . 1_556 Ba1 Ba2 3.948(1) . 7_655 Ba1 Ba2 3.948(1) . 7_656 Ba1 Ba2 4.1005(5) . 25_555 Ba1 Ba2 4.1005(5) . 25_556 Ba1 Ba2 4.1005(5) . 43_545 Ba1 Ba2 4.1005(5) . 43_546 Ba1 Ba2 4.5192 . 38_544 Ba1 Ba2 0.1657(9) . 38_545 Ba1 Ba2 4.5192 . 38_546 Ba1 Ba2 4.1051(5) . 8_555 Ba1 Ba2 4.1051(5) . 8_556 Ba1 Ba2 4.1868(7) . 26_555 Ba1 Ba2 4.1868(7) . 26_556 Ba1 Ba2 3.8665(8) . 44_555 Ba1 Ba2 3.8665(8) . 44_556 Ba1 Ba2 4.5192 . 22_554 Ba1 Ba2 0.1657(7) . 22_555 Ba1 Ba2 4.5192 . 22_556 Ba1 Ba2 4.1051(9) . 10_555 Ba1 Ba2 4.1051(9) . 10_556 Ba1 Ba2 3.8665(6) . 28_445 Ba1 Ba2 3.8665(6) . 28_446 Ba1 Ba2 4.187(1) . 46_545 Ba1 Ba2 4.187(1) . 46_546 Ba2 Rh1 3.5491 . 1_554 Ba2 Rh1 3.5491 . . Ba2 Rh1 3.5491 . 1_556 Ba2 Rh1 3.5491 . 1_557 Ba2 Rh1 3.2701 . 19_554 Ba2 Rh1 3.2701 . 19_555 Ba2 Rh1 3.2701 . 19_556 Ba2 Rh1 3.2701 . 19_557 Ba2 Rh1 3.2701 . 37_544 Ba2 Rh1 3.2701 . 37_545 Ba2 Rh1 3.2701 . 37_546 Ba2 Rh1 3.2701 . 37_547 Ba2 Rh1 3.5491 . 3_554 Ba2 Rh1 3.5491 . 3_555 Ba2 Rh1 3.5491 . 3_556 Ba2 Rh1 3.5491 . 3_557 Ba2 Rh1 3.2701 . 21_554 Ba2 Rh1 3.2701 . 21_555 Ba2 Rh1 3.2701 . 21_556 Ba2 Rh1 3.2701 . 21_557 Ba2 Rh1 3.2701 . 39_544 Ba2 Rh1 3.2701 . 39_545 Ba2 Rh1 3.2701 . 39_546 Ba2 Rh1 3.2701 . 39_547 Ba2 O 3.0833 . 1_554 Ba2 O 3.0833 . . Ba2 O 3.0833 . 1_556 Ba2 O 3.0833 . 1_557 Ba2 O 5.2881 . 19_444 Ba2 O 5.2881 . 19_445 Ba2 O 5.2881 . 19_446 Ba2 O 4.7982 . 19_554 Ba2 O 4.7982 . 19_555 Ba2 O 4.7982 . 19_556 Ba2 O 2.7576 . 37_543 Ba2 O 2.7576 . 37_544 Ba2 O 2.7576 . 37_545 Ba2 O 2.7576 . 37_546 Ba2 O 2.7576 . 37_547 Ba2 O 4.5126 . 7_555 Ba2 O 4.5126 . 7_556 Ba2 O 4.5126 . 7_557 Ba2 O 4.5126 . 7_558 Ba2 O 1.7442 . 25_554 Ba2 O 1.7442 . 25_555 Ba2 O 1.7442 . 25_556 Ba2 O 1.7442 . 25_557 Ba2 O 1.7442 . 25_558 Ba2 O 4.2966 . 43_544 Ba2 O 4.2966 . 43_545 Ba2 O 4.2966 . 43_546 Ba2 O 4.2966 . 43_547 Ba2 O 5.0785 . 2_554 Ba2 O 5.0785 . 2_555 Ba2 O 5.0785 . 2_556 Ba2 O 5.0025 . 2_654 Ba2 O 5.0025 . 2_655 Ba2 O 5.0025 . 2_656 Ba2 O 2.9104 . 20_553 Ba2 O 2.9104 . 20_554 Ba2 O 2.9104 . 20_555 Ba2 O 2.9104 . 20_556 Ba2 O 2.9104 . 20_557 Ba2 O 2.9104 . 38_543 Ba2 O 2.9104 . 38_544 Ba2 O 2.9104 . 38_545 Ba2 O 2.9104 . 38_546 Ba2 O 2.9104 . 38_547 Ba2 O 2.0196 . 8_554 Ba2 O 2.0196 . 8_555 Ba2 O 2.0196 . 8_556 Ba2 O 2.0196 . 8_557 Ba2 O 2.0196 . 8_558 Ba2 O 4.1946 . 26_555 Ba2 O 4.1946 . 26_556 Ba2 O 4.1946 . 26_557 Ba2 O 4.1946 . 26_558 Ba2 O 4.1946 . 44_544 Ba2 O 4.1946 . 44_545 Ba2 O 4.1946 . 44_546 Ba2 O 4.1946 . 44_547 Ba2 O 3.0833 . 4_554 Ba2 O 3.0833 . 4_555 Ba2 O 3.0833 . 4_556 Ba2 O 3.0833 . 4_557 Ba2 O 2.7576 . 22_553 Ba2 O 2.7576 . 22_554 Ba2 O 2.7576 . 22_555 Ba2 O 2.7576 . 22_556 Ba2 O 2.7576 . 22_557 Ba2 O 4.7982 . 40_544 Ba2 O 4.7982 . 40_545 Ba2 O 4.7982 . 40_546 Ba2 O 5.2881 . 40_554 Ba2 O 5.2881 . 40_555 Ba2 O 5.2881 . 40_556 Ba2 O 4.5126 . 10_555 Ba2 O 4.5126 . 10_556 Ba2 O 4.5126 . 10_557 Ba2 O 4.5126 . 10_558 Ba2 O 4.2966 . 28_555 Ba2 O 4.2966 . 28_556 Ba2 O 4.2966 . 28_557 Ba2 O 4.2966 . 28_558 Ba2 O 1.7442 . 46_544 Ba2 O 1.7442 . 46_545 Ba2 O 1.7442 . 46_546 Ba2 O 1.7442 . 46_547 Ba2 O 1.7442 . 46_548 Ba2 Ba1 4.5234(1) . 1_554 Ba2 Ba1 0.256(1) . . Ba2 Ba1 4.5234(1) . 1_556 Ba2 Ba1 3.948(1) . 7_655 Ba2 Ba1 3.948(1) . 7_656 Ba2 Ba1 4.1005(5) . 25_555 Ba2 Ba1 4.1005(5) . 25_556 Ba2 Ba1 4.1005(5) . 43_545 Ba2 Ba1 4.1005(5) . 43_546 Ba2 Ba1 4.5192 . 38_544 Ba2 Ba1 0.1657(9) . 38_545 Ba2 Ba1 4.5192 . 38_546 Ba2 Ba1 4.1051(5) . 8_555 Ba2 Ba1 4.1051(5) . 8_556 Ba2 Ba1 3.8665(8) . 26_555 Ba2 Ba1 3.8665(8) . 26_556 Ba2 Ba1 4.1868(7) . 44_555 Ba2 Ba1 4.1868(7) . 44_556 Ba2 Ba1 4.5192 . 22_554 Ba2 Ba1 0.166(1) . 22_555 Ba2 Ba1 4.5192 . 22_556 Ba2 Ba1 4.1051(8) . 10_555 Ba2 Ba1 4.1051(8) . 10_556 Ba2 Ba1 4.1868(6) . 28_445 Ba2 Ba1 4.1868(6) . 28_446 Ba2 Ba1 3.866(1) . 46_545 Ba2 Ba1 3.866(1) . 46_546 Ba2 Ba2 4.5162 . 1_554 Ba2 Ba2 4.5162 . 1_556 Ba2 Ba2 5.8203 . 19_445 Ba2 Ba2 5.820(1) . 19_455 Ba2 Ba2 5.820(1) . 19_555 Ba2 Ba2 5.820(1) . 37_445 Ba2 Ba2 5.820(1) . 37_545 Ba2 Ba2 5.8203 . 37_555 Ba2 Ba2 3.741(1) . 7_655 Ba2 Ba2 3.741(1) . 7_656 Ba2 Ba2 4.2192(6) . 25_555 Ba2 Ba2 4.2192(6) . 25_556 Ba2 Ba2 4.2192(6) . 43_545 Ba2 Ba2 4.2192(6) . 43_546 Ba2 Ba2 5.6639(8) . 2_545 Ba2 Ba2 5.6639(8) . 2_655 Ba2 Ba2 5.493(1) . 20_545 Ba2 Ba2 4.5280(1) . 38_544 Ba2 Ba2 0.327(1) . 38_545 Ba2 Ba2 4.5280(1) . 38_546 Ba2 Ba2 4.2065(6) . 8_555 Ba2 Ba2 4.2065(6) . 8_556 Ba2 Ba2 3.9739(9) . 26_555 Ba2 Ba2 3.9739(9) . 26_556 Ba2 Ba2 3.9739(9) . 44_555 Ba2 Ba2 3.9739(9) . 44_556 Ba2 Ba2 5.664(1) . 4_655 Ba2 Ba2 5.6639(8) . 4_665 Ba2 Ba2 4.5280(1) . 22_554 Ba2 Ba2 0.327(1) . 22_555 Ba2 Ba2 4.5280(1) . 22_556 Ba2 Ba2 5.493(1) . 40_655 Ba2 Ba2 4.207(1) . 10_555 Ba2 Ba2 4.207(1) . 10_556 Ba2 Ba2 3.9739(7) . 28_445 Ba2 Ba2 3.9739(7) . 28_446 Ba2 Ba2 3.974(1) . 46_545 Ba2 Ba2 3.974(1) . 46_546 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_m_1 _refln_F_meas _refln_F_calc _refln_F_sigma 0 0 0 2 89.0 77.4 0.9 0 0 0 4 56.0 55.2 0.6 0 0 0 6 25.5 27.3 0.5 -1 2 0 0 28.8 29.3 0.3 -1 2 0 1 83.2 75.8 0.8 -1 2 0 2 60.5 58.1 0.6 -1 2 0 3 61.6 57.3 0.6 -1 2 0 4 23.9 24.3 0.3 -1 2 0 5 33.2 33.4 0.4 -1 2 0 6 15.3 15.3 0.2 -1 2 0 7 16.0 16.7 0.3 0 3 0 -6 24.0 24.8 0.4 0 3 0 -4 52.0 50.7 0.6 0 3 0 -2 62.9 58.1 0.6 0 3 0 0 109.0 119.5 1.1 0 3 0 2 62.1 58.0 0.6 0 3 0 4 52.0 50.7 0.6 0 3 0 6 24.2 24.8 0.4 -2 4 0 0 3.9 1.8 0.3 -2 4 0 1 92.7 88.1 0.9 -2 4 0 2 57.6 56.9 0.6 -2 4 0 3 56.2 54.0 0.6 -2 4 0 4 23.0 22.0 0.3 -2 4 0 5 31.5 31.3 0.4 -2 4 0 6 13.7 14.6 0.2 -2 4 0 7 14.3 15.9 0.3 -1 5 0 -6 13.4 13.7 0.2 -1 5 0 -5 28.6 28.3 0.4 -1 5 0 -4 21.1 20.1 0.3 -1 5 0 -3 48.9 47.6 0.5 -1 5 0 -2 47.6 47.3 0.5 -1 5 0 -1 59.0 59.0 0.6 -1 5 0 0 13.0 13.7 0.2 -1 5 0 1 58.2 59.0 0.6 -1 5 0 2 46.9 47.3 0.5 -1 5 0 3 48.2 47.7 0.5 -1 5 0 4 20.7 20.2 0.3 -1 5 0 5 28.4 28.4 0.4 -1 5 0 6 13.2 13.7 0.2 -3 6 0 0 102.4 108.7 1.0 -3 6 0 1 4.9 4.0 0.1 -3 6 0 2 46.3 46.5 0.5 -3 6 0 4 43.1 42.5 0.5 -3 6 0 6 20.4 21.2 0.3 0 6 0 -6 18.2 20.1 0.3 0 6 0 -4 40.2 39.7 0.5 0 6 0 -2 49.7 49.1 0.5 0 6 0 0 109.6 116.3 1.1 0 6 0 2 49.1 49.2 0.5 0 6 0 4 39.5 39.7 0.5 0 6 0 6 18.7 20.2 0.3 -2 7 0 -6 11.5 11.6 0.2 -2 7 0 -5 25.3 24.9 0.3 -2 7 0 -4 17.7 17.0 0.2 -2 7 0 -3 41.0 39.7 0.4 -2 7 0 -2 39.6 38.9 0.4 -2 7 0 -1 51.1 51.3 0.5 -2 7 0 0 17.2 17.7 0.2 -2 7 0 1 50.3 51.3 0.5 -2 7 0 2 39.0 38.9 0.4 -2 7 0 3 40.3 39.6 0.4 -2 7 0 4 17.6 17.0 0.2 -2 7 0 5 25.4 24.9 0.3 -2 7 0 6 11.6 11.6 0.2 -4 8 0 0 5.9 6.3 0.2 -4 8 0 1 53.4 54.3 0.6 -4 8 0 2 42.3 41.4 0.5 -4 8 0 3 36.4 37.5 0.4 -4 8 0 4 17.4 17.1 0.2 -4 8 0 5 22.2 22.4 0.3 -4 8 0 6 11.4 11.7 0.3 -1 8 0 -6 11.0 10.3 0.3 -1 8 0 -5 20.7 20.7 0.3 -1 8 0 -4 16.1 15.3 0.2 -1 8 0 -3 32.7 32.6 0.4 -1 8 0 -2 34.0 34.4 0.4 -1 8 0 -1 41.0 42.3 0.4 -1 8 0 0 16.6 17.8 0.2 -1 8 0 1 40.9 42.3 0.4 -1 8 0 2 34.0 34.4 0.4 -1 8 0 3 32.3 32.7 0.4 -1 8 0 4 16.0 15.3 0.2 -1 8 0 5 20.6 20.8 0.3 -1 8 0 6 10.7 10.4 0.3 -3 9 0 -4 29.9 30.5 0.4 -3 9 0 -2 28.8 29.6 0.3 -3 9 0 0 77.8 81.3 0.8 -3 9 0 2 28.7 29.6 0.3 -3 9 0 4 30.7 30.6 0.4 0 9 0 -4 26.6 26.1 0.4 0 9 0 -2 23.9 23.4 0.3 0 9 0 0 68.2 70.7 0.7 0 9 0 2 24.3 23.4 0.3 0 9 0 4 25.7 26.1 0.4 -5 10 0 0 12.2 12.2 0.2 -5 10 0 1 34.5 35.6 0.4 -5 10 0 2 29.0 29.0 0.3 -5 10 0 3 30.1 30.0 0.4 -5 10 0 4 11.3 11.0 0.2 -5 10 0 5 19.1 18.7 0.3 -2 10 0 -5 17.4 17.6 0.3 -2 10 0 -4 11.8 11.3 0.2 -2 10 0 -3 29.2 29.0 0.4 -2 10 0 -2 29.0 29.5 0.3 -2 10 0 -1 39.3 39.4 0.4 -2 10 0 0 9.9 10.4 0.1 -2 10 0 1 39.2 39.5 0.4 -2 10 0 2 29.2 29.6 0.3 -2 10 0 3 29.0 29.1 0.4 -2 10 0 4 11.8 11.3 0.2 -2 10 0 5 17.6 17.7 0.3 -4 11 0 -5 14.5 15.0 0.2 -4 11 0 -4 12.0 11.9 0.2 -4 11 0 -3 21.9 21.8 0.3 -4 11 0 -2 27.9 28.1 0.3 -4 11 0 -1 26.1 26.3 0.3 -4 11 0 0 9.5 10.0 0.1 -4 11 0 1 26.0 26.3 0.3 -4 11 0 2 27.8 28.1 0.3 -4 11 0 3 21.7 21.8 0.3 -4 11 0 4 12.2 11.8 0.2 -4 11 0 5 14.5 15.0 0.2 -1 11 0 -4 9.6 9.4 0.2 -1 11 0 -3 19.9 19.6 0.3 -1 11 0 -2 24.2 24.4 0.3 -1 11 0 -1 22.6 22.9 0.3 -1 11 0 0 10.8 10.3 0.2 -1 11 0 1 22.7 23.0 0.3 -1 11 0 2 23.5 24.5 0.3 -1 11 0 3 19.7 19.8 0.3 -1 11 0 4 9.3 9.5 0.2 -6 12 0 0 63.1 63.6 0.7 -6 12 0 2 21.4 21.5 0.3 -6 12 0 4 21.3 21.7 0.3 -3 12 0 -4 19.6 19.1 0.3 -3 12 0 -2 15.6 15.6 0.2 -3 12 0 0 53.1 53.9 0.5 -3 12 0 2 15.7 15.6 0.2 -3 12 0 4 19.1 19.2 0.3 0 12 0 -2 14.8 14.2 0.3 0 12 0 0 50.8 49.3 0.5 0 12 0 2 15.3 14.3 0.3 -5 13 0 -4 6.8 6.2 0.5 -5 13 0 -3 18.9 19.0 0.3 -5 13 0 -2 17.0 17.2 0.2 -5 13 0 -1 24.0 24.4 0.3 -5 13 0 0 17.9 17.4 0.2 -5 13 0 1 24.0 24.4 0.3 -5 13 0 2 17.2 17.2 0.2 -5 13 0 3 19.4 19.1 0.3 -2 13 0 -3 15.6 15.3 0.2 -2 13 0 -2 16.6 16.7 0.2 -2 13 0 -1 19.9 19.2 0.3 -2 13 0 0 15.9 14.6 0.2 -2 13 0 1 19.2 19.2 0.3 -2 13 0 2 16.6 16.7 0.2 -2 13 0 3 15.9 15.4 0.2 -7 14 0 0 12.9 12.0 0.2 -7 14 0 1 15.9 15.5 0.2 -7 14 0 2 20.3 20.3 0.3 -7 14 0 3 13.5 12.8 0.2 -4 14 0 -3 13.8 13.7 0.3 -4 14 0 -2 21.4 21.0 0.3 -4 14 0 -1 17.9 17.2 0.2 -4 14 0 0 9.0 8.5 0.2 -4 14 0 1 18.2 17.3 0.2 -4 14 0 2 21.3 21.0 0.3 -4 14 0 3 13.8 13.8 0.3 -1 14 0 -2 14.0 14.4 0.3 -1 14 0 -1 13.4 13.0 0.2 -1 14 0 0 15.6 13.6 0.2 -1 14 0 1 13.4 13.0 0.2 -1 14 0 2 14.4 14.4 0.3 -6 15 0 -2 7.3 7.1 0.3 -6 15 0 0 38.8 37.8 0.4 -6 15 0 2 7.4 7.1 0.3 -3 15 0 0 35.7 33.8 0.4 -8 16 0 0 15.2 14.5 0.2 -8 16 0 1 17.6 17.5 0.3 -1 1 1 -2 6.6 8.8 0.1 -1 1 1 0 27.4 25.0 0.3 -1 1 1 2 22.4 22.6 0.3 0 2 1 -4 3.9 3.2 0.2 0 2 1 -2 3.7 3.1 0.1 0 2 1 0 50.2 45.1 0.5 0 2 1 2 9.6 10.1 0.2 0 2 1 4 7.3 7.1 0.3 -2 3 1 -3 7.4 7.3 0.1 -2 3 1 0 47.8 44.2 0.5 -2 3 1 2 11.7 12.3 0.2 -2 3 1 4 6.3 4.2 0.5 -4 4 1 -4 5.6 5.9 0.2 -4 4 1 -2 13.7 14.0 0.2 -4 4 1 0 28.7 28.4 0.3 -4 4 1 2 22.5 22.1 0.3 -1 4 1 -5 4.5 3.8 0.3 -1 4 1 -4 5.0 5.5 0.1 -1 4 1 -3 6.2 5.5 0.1 -1 4 1 -2 10.7 11.0 0.1 -1 4 1 -1 15.3 15.4 0.2 -1 4 1 0 36.3 35.1 0.4 -1 4 1 1 14.7 14.3 0.2 -1 4 1 2 18.9 18.4 0.2 -1 4 1 3 7.7 7.1 0.2 -3 5 1 -4 5.6 5.0 0.2 -3 5 1 -2 5.9 5.5 0.1 -3 5 1 -1 11.7 12.1 0.2 -3 5 1 0 49.1 48.6 0.5 -3 5 1 1 12.7 12.4 0.2 -3 5 1 3 5.7 5.5 0.4 -3 5 1 4 8.4 8.9 0.3 0 5 1 -4 8.3 8.1 0.2 0 5 1 -2 7.3 7.0 0.2 0 5 1 0 42.7 42.1 0.5 0 5 1 2 5.0 4.3 0.4 0 5 1 4 10.1 10.5 0.3 -5 6 1 -5 5.4 4.4 0.2 -5 6 1 -3 9.3 9.2 0.1 -5 6 1 -1 11.0 10.9 0.1 -5 6 1 0 27.9 28.8 0.3 -5 6 1 1 10.3 10.2 0.2 -5 6 1 2 13.6 13.1 0.2 -5 6 1 3 8.8 8.3 0.2 4 -6 1 -5 5.4 4.8 0.2 -2 6 1 -5 5.9 5.3 0.2 -2 6 1 -3 11.2 11.4 0.2 -2 6 1 -2 7.8 8.3 0.1 -2 6 1 -1 12.4 12.3 0.2 -2 6 1 0 27.1 28.0 0.3 -2 6 1 1 11.8 11.1 0.2 -2 6 1 2 16.9 16.8 0.2 -2 6 1 3 10.6 10.1 0.2 1 -6 1 -5 4.4 4.0 0.3 -7 7 1 -4 7.2 6.8 0.2 -7 7 1 -2 15.0 14.7 0.2 -7 7 1 0 8.0 8.3 0.2 -7 7 1 2 26.3 25.5 0.4 6 -7 1 -5 5.4 5.7 0.2 -4 7 1 -4 7.6 7.1 0.2 -4 7 1 -3 4.9 4.5 0.2 -4 7 1 -2 12.8 12.9 0.2 -4 7 1 -1 4.6 4.5 0.3 -4 7 1 0 18.6 20.1 0.2 -4 7 1 1 4.6 4.4 0.3 -4 7 1 2 21.3 21.3 0.3 -1 7 1 -5 6.1 6.3 0.2 -1 7 1 -4 5.9 5.9 0.2 -1 7 1 -3 10.6 10.7 0.2 -1 7 1 -2 13.2 13.4 0.2 -1 7 1 -1 13.1 13.0 0.2 -1 7 1 0 11.8 12.1 0.2 -1 7 1 1 12.6 12.4 0.2 -1 7 1 2 24.4 23.5 0.3 -1 7 1 3 9.4 9.5 0.2 -6 8 1 -4 4.9 4.6 0.2 -6 8 1 -3 5.0 4.7 0.2 -6 8 1 -2 4.8 5.0 0.2 -6 8 1 -1 5.5 5.6 0.2 -6 8 1 0 33.1 33.6 0.4 -6 8 1 1 5.8 5.7 0.2 -6 8 1 3 6.8 5.9 0.4 -6 8 1 4 7.8 9.0 0.3 -3 8 1 -4 8.4 8.4 0.2 -3 8 1 -2 11.0 11.2 0.2 -3 8 1 0 41.9 42.7 0.4 -3 8 1 4 11.4 12.1 0.2 0 8 1 -4 10.2 9.5 0.2 0 8 1 -2 11.9 12.2 0.2 0 8 1 0 38.4 38.5 0.4 0 8 1 4 13.0 13.6 0.3 -8 9 1 -5 5.6 4.5 0.5 -8 9 1 -3 7.5 7.2 0.2 -8 9 1 -1 8.8 8.4 0.2 -8 9 1 0 25.9 26.3 0.3 -8 9 1 1 7.9 8.5 0.2 -8 9 1 2 7.2 6.7 0.2 -8 9 1 3 7.0 7.3 0.3 7 -9 1 -5 6.9 6.9 0.2 -5 9 1 -5 6.9 6.6 0.2 -5 9 1 -3 10.8 10.8 0.2 -5 9 1 -2 5.3 5.0 0.2 -5 9 1 -1 17.3 17.6 0.2 -5 9 1 0 23.6 24.9 0.3 -5 9 1 1 18.2 18.0 0.2 -5 9 1 2 11.3 11.3 0.2 -5 9 1 3 12.3 11.9 0.2 4 -9 1 -5 6.4 6.0 0.2 -2 9 1 -5 8.0 7.6 0.2 -2 9 1 -4 5.3 5.6 0.2 -2 9 1 -3 11.5 11.4 0.2 -2 9 1 -2 9.2 9.0 0.2 -2 9 1 -1 14.9 14.6 0.2 -2 9 1 0 17.2 16.9 0.2 -2 9 1 1 14.0 14.0 0.2 -2 9 1 2 16.8 16.2 0.2 -2 9 1 3 11.3 10.9 0.2 -10 10 1 -2 10.5 10.5 0.2 -10 10 1 0 12.0 11.6 0.2 -10 10 1 2 18.0 17.9 0.3 9 -10 1 -5 6.5 6.3 0.2 -7 10 1 -4 7.4 7.3 0.2 -7 10 1 -2 12.5 11.8 0.2 -7 10 1 -1 6.2 6.9 0.2 -7 10 1 0 12.6 12.9 0.2 -7 10 1 1 6.8 6.8 0.2 -7 10 1 2 19.2 19.1 0.3 6 -10 1 -5 5.7 4.3 0.4 -4 10 1 -5 6.1 4.7 0.4 -4 10 1 -4 6.9 7.2 0.2 -4 10 1 -3 8.5 8.6 0.2 -4 10 1 -2 12.2 12.2 0.2 -4 10 1 -1 9.7 9.6 0.2 -4 10 1 0 12.9 13.2 0.2 -4 10 1 1 9.2 9.6 0.2 -4 10 1 2 20.0 19.6 0.3 -4 10 1 3 7.1 8.6 0.3 -1 10 1 -5 7.0 7.0 0.3 -1 10 1 -4 6.7 7.3 0.2 -1 10 1 -3 11.3 11.6 0.2 -1 10 1 -2 10.9 10.9 0.2 -1 10 1 -1 16.0 16.1 0.2 -1 10 1 0 13.4 12.9 0.2 -1 10 1 1 16.6 16.3 0.2 -1 10 1 2 17.3 16.8 0.2 -1 10 1 3 11.9 12.2 0.2 -9 11 1 -3 5.1 4.0 0.4 -9 11 1 -1 7.5 7.9 0.2 -9 11 1 0 27.9 28.5 0.3 -9 11 1 1 9.4 9.2 0.2 -9 11 1 3 6.8 6.8 0.5 -6 11 1 -4 7.2 6.5 0.2 -6 11 1 -2 6.9 6.9 0.2 -6 11 1 0 31.1 32.0 0.4 -3 11 1 -4 9.3 9.2 0.2 -3 11 1 -2 11.2 11.8 0.2 -3 11 1 0 37.4 37.2 0.4 -3 11 1 2 7.5 5.3 0.4 0 11 1 -4 10.2 9.1 0.3 0 11 1 -2 10.8 11.1 0.3 0 11 1 0 33.9 33.6 0.4 -11 12 1 -3 5.8 5.7 0.4 -11 12 1 -1 7.1 7.1 0.3 -11 12 1 0 18.3 18.2 0.2 -11 12 1 1 7.3 7.3 0.2 -11 12 1 2 7.5 7.1 0.3 10 -12 1 -5 6.5 6.3 0.3 -8 12 1 -3 8.4 8.9 0.2 -8 12 1 -2 5.2 4.8 0.4 -8 12 1 -1 10.0 10.3 0.2 -8 12 1 0 17.0 17.0 0.2 -8 12 1 1 9.8 10.1 0.2 -8 12 1 2 9.7 10.2 0.2 -8 12 1 3 9.1 9.2 0.3 7 -12 1 -5 6.5 6.5 0.3 -5 12 1 -5 6.8 7.2 0.3 -5 12 1 -3 11.3 11.7 0.2 -5 12 1 -2 8.5 9.2 0.2 -5 12 1 -1 14.2 14.1 0.2 -5 12 1 0 11.8 11.6 0.2 -5 12 1 1 13.4 13.5 0.2 -5 12 1 2 15.4 15.3 0.2 -5 12 1 3 11.2 11.0 0.3 4 -12 1 -5 5.8 4.7 0.4 -2 12 1 -5 7.2 7.0 0.3 -2 12 1 -3 11.5 11.5 0.2 -2 12 1 -2 9.5 9.8 0.2 -2 12 1 -1 13.3 13.4 0.2 -2 12 1 0 11.4 10.6 0.2 -2 12 1 1 12.9 13.1 0.2 -2 12 1 2 15.8 15.3 0.2 -13 13 1 -2 8.5 9.2 0.3 -13 13 1 0 6.2 5.6 0.5 -10 13 1 -2 8.9 9.2 0.2 -10 13 1 0 9.2 8.9 0.2 -10 13 1 2 15.3 15.6 0.3 -7 13 1 -4 6.2 6.1 0.4 -7 13 1 -3 6.1 6.0 0.3 -7 13 1 -2 11.4 11.9 0.2 -7 13 1 -1 7.6 7.6 0.2 -7 13 1 1 8.0 7.7 0.2 -7 13 1 2 19.5 19.4 0.3 -4 13 1 -5 6.1 5.9 0.4 -4 13 1 -4 6.0 6.3 0.3 -4 13 1 -3 8.1 8.2 0.2 -4 13 1 -2 10.3 10.6 0.2 -4 13 1 -1 10.4 10.7 0.2 -4 13 1 0 8.4 7.9 0.2 -4 13 1 1 10.9 10.8 0.2 -4 13 1 2 17.5 16.7 0.3 -1 13 1 -5 6.9 6.9 0.5 -1 13 1 -3 9.6 10.1 0.2 -1 13 1 -2 9.8 11.0 0.2 -1 13 1 -1 12.7 12.4 0.2 -1 13 1 0 6.3 5.0 0.3 -1 13 1 1 12.1 12.3 0.2 -12 14 1 0 18.7 18.2 0.3 -9 14 1 -2 6.1 5.8 0.4 -9 14 1 0 24.4 24.7 0.3 -6 14 1 -4 7.7 7.0 0.2 -6 14 1 -2 8.0 8.0 0.2 -6 14 1 0 26.8 26.9 0.4 -3 14 1 -4 9.3 8.5 0.2 -3 14 1 -2 10.3 10.5 0.2 -3 14 1 0 30.3 29.3 0.4 0 14 1 -2 9.8 9.1 0.3 -11 15 1 -1 8.6 9.4 0.2 -11 15 1 0 14.7 13.8 0.3 -8 15 1 -3 7.1 8.3 0.3 -8 15 1 -1 10.0 10.5 0.2 -8 15 1 0 11.2 10.9 0.2 -8 15 1 1 9.8 10.5 0.3 -5 15 1 -3 9.0 10.4 0.2 -5 15 1 -2 7.0 7.3 0.3 -5 15 1 -1 13.6 13.7 0.2 -5 15 1 0 10.3 9.5 0.2 -10 16 1 -2 8.1 6.9 0.5 -7 16 1 -2 8.2 8.1 0.3 -7 16 1 -1 8.6 8.5 0.3 0 1 2 0 31.3 28.8 0.4 0 1 2 2 11.8 11.7 0.3 -2 2 2 -2 6.5 5.7 0.1 -2 2 2 0 29.2 27.3 0.4 -2 2 2 2 11.4 11.2 0.2 -1 3 2 -2 4.5 4.2 0.1 -1 3 2 -1 5.4 5.2 0.1 -1 3 2 0 23.1 21.8 0.3 -1 3 2 1 6.0 5.9 0.2 -1 3 2 2 14.7 14.5 0.2 -3 4 2 -4 4.0 4.4 0.2 -3 4 2 -3 5.1 5.7 0.1 -3 4 2 0 17.1 16.6 0.2 -3 4 2 2 17.0 17.0 0.2 0 4 2 -4 3.6 4.9 0.3 0 4 2 0 17.5 17.0 0.3 0 4 2 2 16.0 16.2 0.3 -5 5 2 -2 9.2 9.5 0.1 -5 5 2 0 28.3 28.5 0.4 -2 5 2 -3 3.6 3.7 0.3 -2 5 2 -2 7.5 7.8 0.1 -2 5 2 0 23.8 22.8 0.3 -2 5 2 2 11.3 10.8 0.2 -4 6 2 -5 3.9 4.6 0.2 -4 6 2 -3 4.4 4.1 0.1 -4 6 2 -1 6.7 6.4 0.2 -4 6 2 0 17.2 17.2 0.2 -4 6 2 1 6.8 6.5 0.2 -4 6 2 2 14.8 14.4 0.2 -1 6 2 -3 4.1 3.6 0.2 -1 6 2 -1 5.2 4.4 0.2 -1 6 2 0 23.0 22.7 0.3 -1 6 2 2 9.8 9.5 0.2 -6 7 2 -4 4.9 5.3 0.2 -6 7 2 -3 5.6 5.2 0.2 -6 7 2 -1 6.7 6.5 0.2 -6 7 2 0 16.9 17.6 0.2 -6 7 2 1 6.3 6.5 0.2 -6 7 2 2 12.2 12.5 0.2 -3 7 2 -4 4.2 4.9 0.2 -3 7 2 -1 4.6 4.4 0.2 -3 7 2 0 14.1 13.8 0.2 -3 7 2 2 16.2 15.9 0.2 0 7 2 -4 4.5 4.8 0.2 0 7 2 0 17.7 18.0 0.3 0 7 2 2 11.5 11.5 0.3 -8 8 2 -2 8.7 8.5 0.2 -8 8 2 0 24.7 25.9 0.4 -5 8 2 -4 4.5 3.0 0.2 -5 8 2 -2 7.4 8.1 0.2 -5 8 2 0 23.5 23.7 0.3 -5 8 2 2 7.6 6.1 0.3 -2 8 2 -2 4.9 4.8 0.3 -2 8 2 0 21.9 22.0 0.3 -2 8 2 2 8.1 7.4 0.3 -7 9 2 -3 6.5 6.3 0.2 -7 9 2 -1 7.8 8.0 0.2 -7 9 2 0 11.2 11.9 0.2 -7 9 2 1 7.2 7.7 0.3 -7 9 2 2 15.0 14.6 0.2 -4 9 2 -3 6.3 5.9 0.2 -4 9 2 0 12.4 12.6 0.2 -4 9 2 2 14.7 14.2 0.2 -1 9 2 0 15.6 16.0 0.2 -1 9 2 2 11.1 10.6 0.3 -9 10 2 -3 5.6 5.8 0.2 -9 10 2 -1 6.4 6.0 0.2 -9 10 2 0 7.6 8.5 0.3 -6 10 2 -1 5.3 5.7 0.2 -6 10 2 0 10.1 10.5 0.2 -6 10 2 1 6.9 6.5 0.4 -6 10 2 2 14.5 14.2 0.3 -3 10 2 0 10.5 10.9 0.2 -3 10 2 2 14.3 13.6 0.3 0 10 2 0 10.5 10.6 0.3 -11 11 2 -2 8.6 8.7 0.3 -11 11 2 0 19.9 21.1 0.3 -8 11 2 -4 5.0 3.2 0.3 -8 11 2 -2 8.1 7.9 0.2 -8 11 2 0 19.8 20.8 0.3 -5 11 2 -2 6.5 6.7 0.2 -5 11 2 0 19.1 20.5 0.3 -2 11 2 0 14.8 14.9 0.2 -10 12 2 -3 6.2 5.9 0.3 -10 12 2 -1 7.0 7.7 0.3 -10 12 2 0 7.7 7.6 0.3 -10 12 2 1 7.7 8.1 0.3 -7 12 2 -3 5.5 5.7 0.4 -7 12 2 -1 7.0 6.8 0.3 -7 12 2 0 10.5 10.9 0.2 -7 12 2 1 6.6 6.6 0.4 -4 12 2 0 10.4 11.0 0.2 -1 12 2 0 12.4 12.2 0.2 -12 13 2 -3 6.1 5.4 0.5 -12 13 2 -1 6.6 6.9 0.5 -9 13 2 -1 6.2 6.1 0.4 -9 13 2 0 8.2 8.2 0.3 -6 13 2 0 11.3 11.9 0.2 -3 13 2 0 10.2 9.8 0.2 -11 14 2 -2 6.9 7.0 0.3 -8 14 2 -2 6.1 6.1 0.4 -8 14 2 0 17.9 18.4 0.3 -5 14 2 0 15.3 15.2 0.3 0 0 3 -2 13.6 12.3 0.3 0 0 3 0 16.3 15.3 0.3 0 0 3 2 14.5 13.0 0.4 -1 2 3 -2 9.4 9.6 0.2 -1 2 3 0 14.8 13.8 0.2 -1 2 3 2 15.6 16.6 0.3 -3 3 3 -2 7.7 6.7 0.2 -3 3 3 0 19.0 18.8 0.3 0 3 3 -2 7.8 6.7 0.2 0 3 3 0 18.4 18.8 0.3 -2 4 3 -2 6.0 7.0 0.2 -2 4 3 0 16.5 16.3 0.2 -4 5 3 -2 5.4 7.1 0.2 -4 5 3 0 14.4 14.3 0.2 -1 5 3 -2 5.3 7.1 0.3 -1 5 3 0 14.0 14.3 0.2 -6 6 3 -2 5.7 5.6 0.3 -6 6 3 0 11.5 11.9 0.3 -3 6 3 -2 5.5 5.1 0.2 -3 6 3 0 15.3 16.6 0.2 0 6 3 -2 5.6 5.6 0.3 0 6 3 0 11.4 11.9 0.3 -5 7 3 -2 6.0 7.4 0.2 -5 7 3 0 12.8 13.0 0.2 -2 7 3 -2 6.0 7.4 0.2 -2 7 3 0 12.6 13.0 0.2 -7 8 3 -2 6.0 6.4 0.4 -7 8 3 0 11.0 10.9 0.3 -4 8 3 0 13.0 13.6 0.2 -1 8 3 -2 5.5 6.4 0.3 -1 8 3 0 11.0 10.8 0.2 -9 9 3 0 10.1 10.9 0.3 -6 9 3 0 11.4 12.6 0.2 -3 9 3 0 10.8 12.6 0.2 0 9 3 0 9.8 10.9 0.3 -8 10 3 0 12.2 13.2 0.3 -5 10 3 -2 5.6 6.8 0.5 -5 10 3 0 12.4 13.8 0.2 -2 10 3 0 12.1 13.2 0.3 -7 11 3 0 10.4 10.7 0.3 -4 11 3 0 10.6 10.7 0.3 -8 13 3 -2 6.3 6.3 0.5 0 5 4 -2 5.6 7.8 0.5 -1 1 1 -2 5.9 7.9 0.1 -1 1 1 0 24.1 22.6 0.3 -1 1 1 2 20.0 20.4 0.3 0 2 1 -2 3.4 2.8 0.1 0 2 1 0 45.5 40.8 0.5 0 2 1 2 9.0 9.1 0.2 0 2 1 4 6.4 6.4 0.3 -2 3 1 -3 6.6 6.6 0.1 -2 3 1 0 42.4 40.0 0.4 -2 3 1 2 10.8 11.1 0.2 -4 4 1 -4 5.4 5.4 0.2 -4 4 1 -2 12.6 12.6 0.2 -4 4 1 0 25.4 25.7 0.3 -4 4 1 2 20.0 20.0 0.3 -1 4 1 -4 4.5 5.0 0.2 -1 4 1 -3 5.3 5.0 0.1 -1 4 1 -2 9.5 9.9 0.1 -1 4 1 -1 14.0 13.9 0.2 -1 4 1 0 33.2 31.7 0.4 -1 4 1 1 13.7 12.9 0.2 -1 4 1 2 17.2 16.7 0.2 -1 4 1 3 6.6 6.4 0.2 -3 5 1 -4 5.0 4.5 0.2 -3 5 1 -2 5.3 5.0 0.1 -3 5 1 -1 10.5 11.0 0.1 -3 5 1 0 44.5 43.9 0.5 -3 5 1 1 11.3 11.2 0.2 -3 5 1 3 5.1 4.9 0.4 -3 5 1 4 8.1 8.1 0.3 0 5 1 -4 7.3 7.3 0.2 0 5 1 -2 6.4 6.3 0.1 0 5 1 0 39.2 38.1 0.4 0 5 1 4 9.3 9.5 0.3 -5 6 1 -3 8.7 8.3 0.1 -5 6 1 -1 9.6 9.9 0.1 -5 6 1 0 24.9 26.0 0.3 -5 6 1 1 9.3 9.3 0.2 -5 6 1 2 11.6 11.9 0.2 -5 6 1 3 7.5 7.5 0.2 -2 6 1 -3 9.9 10.3 0.1 -2 6 1 -2 7.2 7.5 0.1 -2 6 1 -1 11.4 11.1 0.2 -2 6 1 0 25.0 25.3 0.3 -2 6 1 1 10.6 10.0 0.2 -2 6 1 2 15.3 15.2 0.2 -2 6 1 3 9.7 9.1 0.2 -7 7 1 -4 6.4 6.2 0.2 -7 7 1 -2 13.7 13.3 0.2 -7 7 1 0 7.0 7.5 0.2 -7 7 1 2 23.3 23.1 0.3 -4 7 1 -4 6.8 6.4 0.2 -4 7 1 -3 3.7 4.0 0.3 -4 7 1 -2 11.4 11.7 0.2 -4 7 1 -1 4.2 4.1 0.1 -4 7 1 0 17.2 18.2 0.2 -4 7 1 2 19.1 19.2 0.3 -1 7 1 -4 5.4 5.4 0.2 -1 7 1 -3 9.6 9.7 0.2 -1 7 1 -2 11.9 12.1 0.2 -1 7 1 -1 11.9 11.8 0.2 -1 7 1 0 10.9 11.0 0.2 -1 7 1 1 11.5 11.2 0.2 -1 7 1 2 22.4 21.3 0.3 -1 7 1 3 8.5 8.6 0.2 -6 8 1 -4 4.5 4.1 0.2 -6 8 1 -3 4.8 4.3 0.3 -6 8 1 -2 4.6 4.5 0.2 -6 8 1 -1 4.8 5.1 0.2 -6 8 1 0 29.0 30.4 0.3 -6 8 1 1 5.5 5.1 0.2 -6 8 1 4 8.0 8.1 0.3 -3 8 1 -4 7.5 7.6 0.2 -3 8 1 -2 9.6 10.1 0.2 -3 8 1 0 38.1 38.6 0.4 -3 8 1 4 10.4 11.0 0.2 0 8 1 -4 9.1 8.6 0.2 0 8 1 -2 10.3 11.1 0.2 0 8 1 0 35.4 34.8 0.4 0 8 1 4 11.9 12.3 0.3 -8 9 1 -3 7.0 6.5 0.2 -8 9 1 -1 7.5 7.6 0.2 -8 9 1 0 22.6 23.8 0.3 -8 9 1 1 7.5 7.7 0.2 -8 9 1 2 6.3 6.1 0.2 -8 9 1 3 6.8 6.6 0.4 -5 9 1 -3 9.9 9.8 0.2 -5 9 1 -2 4.8 4.5 0.3 -5 9 1 -1 15.7 15.9 0.2 -5 9 1 0 21.6 22.5 0.3 -5 9 1 1 16.3 16.3 0.2 -5 9 1 2 10.6 10.2 0.2 -5 9 1 3 11.5 10.8 0.2 -2 9 1 -3 10.2 10.3 0.2 -2 9 1 -2 8.3 8.2 0.2 -2 9 1 -1 13.4 13.2 0.2 -2 9 1 0 15.5 15.3 0.2 -2 9 1 1 12.8 12.6 0.2 -2 9 1 2 15.4 14.7 0.2 -2 9 1 3 10.5 9.8 0.2 -10 10 1 -4 5.4 5.7 0.3 -10 10 1 -2 9.5 9.5 0.2 -10 10 1 0 10.3 10.5 0.2 -10 10 1 2 16.2 16.2 0.3 -7 10 1 -4 6.3 6.6 0.2 -7 10 1 -2 11.3 10.7 0.2 -7 10 1 -1 5.6 6.3 0.2 -7 10 1 0 11.0 11.7 0.2 -7 10 1 1 5.9 6.2 0.3 -7 10 1 2 16.8 17.3 0.2 -4 10 1 -4 6.3 6.5 0.2 -4 10 1 -3 7.7 7.8 0.2 -4 10 1 -2 10.9 11.0 0.2 -4 10 1 -1 8.6 8.7 0.2 -4 10 1 0 11.6 12.0 0.2 -4 10 1 1 8.6 8.7 0.2 -4 10 1 2 17.9 17.7 0.2 -4 10 1 3 7.3 7.8 0.3 -1 10 1 -4 6.0 6.6 0.2 -1 10 1 -3 9.9 10.5 0.2 -1 10 1 -2 10.0 9.9 0.2 -1 10 1 -1 14.8 14.6 0.2 -1 10 1 0 12.3 11.7 0.2 -1 10 1 1 15.2 14.7 0.2 -1 10 1 2 15.5 15.2 0.2 -1 10 1 3 11.3 11.1 0.2 -9 11 1 -1 6.9 7.2 0.2 -9 11 1 0 24.8 25.7 0.3 -9 11 1 1 8.7 8.3 0.2 -9 11 1 3 6.1 6.1 0.5 -6 11 1 -4 6.1 5.9 0.2 -6 11 1 -2 6.4 6.2 0.2 -6 11 1 0 28.0 29.0 0.3 -3 11 1 -4 8.7 8.3 0.2 -3 11 1 -2 10.1 10.7 0.2 -3 11 1 0 34.5 33.6 0.4 -3 11 1 1 5.3 4.0 0.4 0 11 1 -4 8.7 8.2 0.3 0 11 1 -2 9.6 10.0 0.2 0 11 1 0 31.0 30.4 0.4 -11 12 1 -1 6.2 6.4 0.3 -11 12 1 0 16.3 16.4 0.2 -11 12 1 1 6.8 6.6 0.4 -11 12 1 2 6.4 6.4 0.5 -8 12 1 -3 7.7 8.0 0.2 -8 12 1 -1 9.1 9.3 0.2 -8 12 1 0 15.0 15.4 0.2 -8 12 1 1 8.7 9.2 0.2 -8 12 1 2 9.7 9.3 0.2 -8 12 1 3 8.4 8.3 0.3 -5 12 1 -3 10.4 10.6 0.2 -5 12 1 -2 7.6 8.3 0.2 -5 12 1 -1 13.1 12.7 0.2 -5 12 1 0 10.7 10.5 0.2 -5 12 1 1 12.1 12.2 0.2 -5 12 1 2 14.1 13.8 0.2 -5 12 1 3 10.6 10.0 0.3 -2 12 1 -3 10.2 10.4 0.2 -2 12 1 -2 8.4 8.8 0.2 -2 12 1 -1 12.1 12.1 0.2 -2 12 1 0 10.3 9.6 0.2 -2 12 1 1 12.0 11.9 0.2 -2 12 1 2 13.8 13.8 0.2 -13 13 1 -2 7.2 8.3 0.3 -10 13 1 -2 8.5 8.4 0.2 -10 13 1 0 8.3 8.1 0.2 -10 13 1 2 13.7 14.2 0.3 -7 13 1 -3 5.8 5.4 0.3 -7 13 1 -2 10.4 10.8 0.2 -7 13 1 -1 7.0 6.8 0.2 -7 13 1 0 5.7 4.8 0.4 -7 13 1 1 6.9 6.9 0.3 -7 13 1 2 17.9 17.6 0.3 -4 13 1 -3 7.5 7.4 0.2 -4 13 1 -2 9.3 9.6 0.2 -4 13 1 -1 9.8 9.7 0.2 -4 13 1 0 7.9 7.2 0.2 -4 13 1 1 9.4 9.8 0.2 -4 13 1 2 16.0 15.1 0.2 -1 13 1 -3 9.2 9.2 0.2 -1 13 1 -2 8.6 10.0 0.2 -1 13 1 -1 11.8 11.2 0.2 -1 13 1 1 11.1 11.1 0.2 -12 14 1 0 16.4 16.5 0.3 -9 14 1 -4 6.2 4.5 0.5 -9 14 1 -2 5.8 5.2 0.4 -9 14 1 0 22.1 22.3 0.3 -6 14 1 -4 6.9 6.3 0.3 -6 14 1 -2 6.9 7.2 0.3 -6 14 1 0 24.0 24.3 0.3 -3 14 1 -4 8.7 7.7 0.2 -3 14 1 -2 9.8 9.5 0.2 -3 14 1 0 27.4 26.5 0.4 0 14 1 -2 9.2 8.2 0.3 -11 15 1 -3 6.2 5.9 0.5 -11 15 1 -1 7.8 8.5 0.3 -11 15 1 0 13.4 12.5 0.2 -8 15 1 -3 7.2 7.5 0.3 -8 15 1 -2 5.8 5.2 0.4 -8 15 1 -1 9.0 9.5 0.2 -8 15 1 0 10.6 9.8 0.2 -8 15 1 1 8.9 9.5 0.3 -5 15 1 -3 8.9 9.4 0.2 -5 15 1 -2 6.4 6.6 0.5 -5 15 1 -1 12.4 12.4 0.2 -5 15 1 0 9.2 8.6 0.3 -10 16 1 -2 6.8 6.3 0.4 -7 16 1 -2 7.5 7.3 0.3 -7 16 1 -1 8.0 7.7 0.3 0 1 2 0 28.7 26.1 0.3 0 1 2 2 10.4 10.6 0.3 -2 2 2 -2 5.7 5.2 0.1 -2 2 2 0 26.0 24.7 0.3 -2 2 2 2 9.8 10.1 0.3 -1 3 2 -2 3.9 3.8 0.2 -1 3 2 -1 4.7 4.7 0.2 -1 3 2 0 21.0 19.7 0.3 -1 3 2 1 6.0 5.4 0.2 -1 3 2 2 13.3 13.1 0.2 -3 4 2 -4 3.6 4.0 0.3 -3 4 2 -3 4.7 5.2 0.1 -3 4 2 0 15.4 15.0 0.2 -3 4 2 2 14.9 15.4 0.2 0 4 2 0 15.8 15.4 0.2 0 4 2 2 15.1 14.7 0.3 -5 5 2 -2 8.2 8.6 0.2 -5 5 2 0 25.2 25.8 0.3 -2 5 2 -2 6.8 7.0 0.1 -2 5 2 0 21.6 20.6 0.3 -2 5 2 2 10.1 9.8 0.2 -4 6 2 -3 4.4 3.7 0.2 -4 6 2 -1 5.9 5.8 0.2 -4 6 2 0 15.5 15.6 0.2 -4 6 2 1 6.1 5.9 0.2 -4 6 2 2 13.2 13.0 0.2 -1 6 2 -3 3.9 3.3 0.3 -1 6 2 0 20.7 20.5 0.3 -1 6 2 2 9.1 8.6 0.2 -6 7 2 -4 4.5 4.8 0.2 -6 7 2 -3 5.2 4.7 0.2 -6 7 2 -1 6.1 5.9 0.2 -6 7 2 0 15.0 15.9 0.2 -6 7 2 1 6.2 5.9 0.4 -6 7 2 2 11.5 11.3 0.2 -3 7 2 -4 3.9 4.4 0.3 -3 7 2 0 12.8 12.5 0.2 -3 7 2 2 14.9 14.4 0.2 0 7 2 0 15.9 16.3 0.2 0 7 2 2 10.6 10.4 0.3 -8 8 2 -4 4.5 3.5 0.3 -8 8 2 -2 7.3 7.7 0.2 -8 8 2 0 21.9 23.4 0.3 -5 8 2 -2 6.5 7.3 0.2 -5 8 2 0 21.4 21.4 0.3 -5 8 2 2 7.0 5.5 0.3 -2 8 2 -2 4.4 4.4 0.3 -2 8 2 0 19.8 19.9 0.3 -2 8 2 2 7.7 6.7 0.3 -7 9 2 -3 6.0 5.7 0.2 -7 9 2 -1 7.2 7.3 0.2 -7 9 2 0 10.1 10.7 0.2 -7 9 2 1 6.4 6.9 0.3 -7 9 2 2 13.3 13.2 0.2 -4 9 2 -3 6.0 5.3 0.2 -4 9 2 -1 5.0 3.7 0.2 -4 9 2 0 11.1 11.4 0.2 -4 9 2 2 13.5 12.8 0.2 -1 9 2 0 14.3 14.5 0.2 -1 9 2 2 10.4 9.6 0.3 -9 10 2 -3 5.4 5.3 0.2 -9 10 2 -1 5.6 5.5 0.3 -9 10 2 0 7.1 7.7 0.3 -6 10 2 0 9.1 9.5 0.2 -6 10 2 2 12.9 12.8 0.2 -3 10 2 0 9.3 9.8 0.2 -3 10 2 2 12.7 12.3 0.3 0 10 2 0 9.5 9.6 0.3 -11 11 2 -2 7.5 7.8 0.3 -11 11 2 0 18.0 19.1 0.3 -8 11 2 -2 7.2 7.2 0.2 -8 11 2 0 18.2 18.8 0.2 -5 11 2 -2 6.3 6.0 0.2 -5 11 2 0 17.8 18.5 0.2 -2 11 2 0 13.4 13.4 0.2 -10 12 2 -1 6.8 7.0 0.2 -10 12 2 0 6.8 6.8 0.4 -10 12 2 1 7.1 7.4 0.4 -7 12 2 -1 6.3 6.1 0.2 -7 12 2 0 9.4 9.8 0.2 -7 12 2 1 6.2 5.9 0.5 -4 12 2 0 9.9 9.9 0.2 -4 12 2 1 5.6 4.5 0.5 -1 12 2 0 11.1 11.0 0.3 -12 13 2 -1 6.9 6.3 0.4 -9 13 2 0 7.9 7.4 0.3 -6 13 2 0 10.6 10.7 0.2 -3 13 2 0 9.2 8.9 0.2 -11 14 2 -2 6.3 6.3 0.5 -8 14 2 -2 5.8 5.5 0.4 -8 14 2 0 16.2 16.7 0.3 -5 14 2 0 14.0 13.7 0.3 #===END data_Ba1_1695CU0_1695RH0_8305O3_crystal_2 _exptl_crystal_type_of_structure comp _cell_length_a 10.081 _cell_length_b 10.081 _cell_length_c 2.6245 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 230.985 _cell_measurement_pressure ? _cell_measurement_radiation 'Mo k\a' _cell_measurement_reflns_used 25 _cell_measurement_temperature 293 _cell_measurement_theta_max 30 _cell_measurement_theta_min 15 _cell_measurement_wavelength 0.71073 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.00000 0.00000 0.58476 _cell_subsystems_number 2 loop_ _cell_subsystem_code _cell_subsystem_description _cell_subsystem_matrix_W_1_1 _cell_subsystem_matrix_W_1_2 _cell_subsystem_matrix_W_1_3 _cell_subsystem_matrix_W_1_4 _cell_subsystem_matrix_W_2_1 _cell_subsystem_matrix_W_2_2 _cell_subsystem_matrix_W_2_3 _cell_subsystem_matrix_W_2_4 _cell_subsystem_matrix_W_3_1 _cell_subsystem_matrix_W_3_2 _cell_subsystem_matrix_W_3_3 _cell_subsystem_matrix_W_3_4 _cell_subsystem_matrix_W_4_1 _cell_subsystem_matrix_W_4_2 _cell_subsystem_matrix_W_4_3 _cell_subsystem_matrix_W_4_4 1 '1st subsystem' 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 2 '2nd subsystem' 1 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 _cell_formula_units_Z 3 _space_group_crystal_system trigonal _space_group_ssg_name_IT R-3m(00\g)0s loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x2,x1-x2,x3,x4 3 -x2,-x1,x3,1/2+x4 4 -x1+x2,-x1,x3,x4 5 x1,x1-x2,x3,1/2+x4 6 -x1+x2,x2,x3,1/2+x4 7 -x1,-x2,-x3,-x4 8 x2,-x1+x2,-x3,-x4 9 x2,x1,-x3,1/2-x4 10 x1-x2,x1,-x3,-x4 11 -x1,-x1+x2,-x3,1/2-x4 12 x1-x2,-x2,-x3,1/2-x4 13 2/3+x1,1/3+x2,1/3+x3,x4 14 2/3-x2,1/3+x1-x2,1/3+x3,x4 15 2/3-x2,1/3-x1,1/3+x3,1/2+x4 16 2/3-x1+x2,1/3-x1,1/3+x3,x4 17 2/3+x1,1/3+x1-x2,1/3+x3,1/2+x4 18 2/3-x1+x2,1/3+x2,1/3+x3,1/2+x4 19 2/3-x1,1/3-x2,1/3-x3,-x4 20 2/3+x2,1/3-x1+x2,1/3-x3,-x4 21 2/3+x2,1/3+x1,1/3-x3,1/2-x4 22 2/3+x1-x2,1/3+x1,1/3-x3,-x4 23 2/3-x1,1/3-x1+x2,1/3-x3,1/2-x4 24 2/3+x1-x2,1/3-x2,1/3-x3,1/2-x4 25 1/3+x1,2/3+x2,2/3+x3,x4 26 1/3-x2,2/3+x1-x2,2/3+x3,x4 27 1/3-x2,2/3-x1,2/3+x3,1/2+x4 28 1/3-x1+x2,2/3-x1,2/3+x3,x4 29 1/3+x1,2/3+x1-x2,2/3+x3,1/2+x4 30 1/3-x1+x2,2/3+x2,2/3+x3,1/2+x4 31 1/3-x1,2/3-x2,2/3-x3,-x4 32 1/3+x2,2/3-x1+x2,2/3-x3,-x4 33 1/3+x2,2/3+x1,2/3-x3,1/2-x4 34 1/3+x1-x2,2/3+x1,2/3-x3,-x4 35 1/3-x1,2/3-x1+x2,2/3-x3,1/2-x4 36 1/3+x1-x2,2/3-x2,2/3-x3,1/2-x4 loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_versus_stol_list Ba 0 42 -0.324 2.282 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 56.000 54.357 51.112 47.840 44.595 41.453 38.589 36.060 33.823 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 31.808 29.956 28.238 26.644 25.177 23.839 22.630 21.546 20.577 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 19.712 18.937 18.238 17.600 17.013 16.465 15.947 15.452 14.974 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 14.509 14.054 13.607 13.167 12.735 12.308 11.889 11.476 11.071 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 10.675 10.287 9.908 9.540 9.181 8.833 8.496 8.171 7.857 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 7.554 7.264 6.985 6.718 6.463 6.220 5.988 5.768 5.559 ; Cu 0 6 0.320 1.265 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 29.000 28.454 27.096 25.359 23.530 21.695 19.881 18.136 16.506 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 15.024 13.701 12.534 11.514 10.629 9.868 9.216 8.661 8.191 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 7.792 7.452 7.161 6.907 6.682 6.478 6.290 6.113 5.944 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 5.780 5.620 5.462 5.307 5.153 5.001 4.850 4.702 4.555 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 4.411 4.269 4.130 3.993 3.860 3.729 3.603 3.479 3.360 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 3.244 3.131 3.023 2.919 2.818 2.722 2.629 2.541 2.456 ; Rh 0 30 -1.118 0.919 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 45.000 44.091 41.833 39.013 36.089 33.267 30.673 28.370 26.366 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 24.642 23.165 21.897 20.795 19.820 18.935 18.113 17.331 16.577 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 15.844 15.129 14.433 13.756 13.101 12.470 11.866 11.291 10.746 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 10.233 9.751 9.302 8.885 8.500 8.146 7.822 7.527 7.260 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 7.018 6.802 6.608 6.436 6.283 6.148 6.030 5.926 5.836 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 5.758 5.690 5.632 5.582 5.540 5.504 5.474 5.448 5.426 ; O 0 108 0.011 0.006 International_Tables_Vol_C ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 8.000 7.798 7.246 6.472 5.623 4.808 4.089 3.489 3.006 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 2.628 2.337 2.115 1.946 1.816 1.715 1.634 1.568 1.512 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 1.463 1.419 1.377 1.337 1.298 1.260 1.221 1.183 1.145 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 1.108 1.070 1.033 0.997 0.961 0.926 0.891 0.857 0.824 stol 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 f 0.792 0.761 0.731 0.702 0.674 0.647 0.621 0.597 0.573 stol 2.25 2.30 2.35 2.40 2.45 2.50 2.55 2.60 2.65 f 0.551 0.530 0.509 0.490 0.472 0.455 0.439 0.424 0.410 ; _chemical_formula_sum 'Ba1.169 Cu0.169 Rh0.831 O3' _chemical_formula_weight 304.8 _exptl_crystal_colour BLACK _exptl_crystal_description NEEDLE _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_density_meas 6.571 _exptl_crystal_density_meas_temp ? _exptl_crystal_density_method ? _exptl_crystal_F_000 395 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 1.000 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_coefficient_mu 20.221 _diffrn_measurement_device Enraf-Nonius _diffrn_measurement_device_type CAD4 _diffrn_measurement_method w _diffrn_radiation_probe 'x-ray' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_standards_number 3 _diffrn_standards_decay_% ? _diffrn_standards_interval_count 200 _diffrn_standards_interval_time 60 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -3 _diffrn_reflns_limit_l_max 4 _diffrn_reflns_limit_index_m_1_min -3 _diffrn_reflns_limit_index_m_1_max 10 _reflns_limit_h_min -15 _reflns_limit_h_max 7 _reflns_limit_k_min -9 _reflns_limit_k_max 18 _reflns_limit_l_min 0 _reflns_limit_l_max 4 _reflns_limit_index_m_1_min -7 _reflns_limit_index_m_1_max 8 _diffrn_reflns_number 2325 _diffrn_reflns_theta_min 2.68 _diffrn_reflns_theta_max 39.88 _diffrn_reflns_av_R_equivalents 0.0212 _diffrn_reflns_av_unetI/netI 0.0279 _reflns_threshold_expression 5 _reflns_number_total 1176 _reflns_number_gt 1176 _refine_ls_structure_factor_coef F _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_R_factor_gt 0.0330 _refine_ls_wR_factor_gt 0.0502 _refine_ls_R_factor_all 0.0330 _refine_ls_wR_factor_all 0.0502 _refine_ls_number_reflns 1176 _refine_ls_number_parameters 39 _refine_ls_goodness_of_fit_all 2.67 _refine_ls_goodness_of_fit_gt 2.67 _refine_ls_shift/su_max 0.0217 _refine_ls_shift/su_mean 0.0057 _refine_diff_density_max 6.24 _refine_diff_density_min -6.39 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic' _refine_ls_extinction_coef 0.025(2) _refine_special_details ;WARNING: Dubious CIF. Check the structural parameters against the publication. Atomic occupancies are unrealiable. ; loop_ _atom_site_label _atom_site_type_symbol _atom_site_subsystem_code _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Rh1 Rh 1 6 1 0 0 0 0.00787(8) Cu1 Cu 1 6 1 0 0 0 0.0150(8) Cu2 Cu 1 6 1 0.0490(6) 0.0490(6) 0 0.0150(8) O O 1 18 1 0.1534(2) 0.1534(2) 0.5 0.0262(8) Ba1 Ba 2 18 1 0.32717(5) 0 0.25 0.0175(1) Ba2 Ba 2 18 1 0.35305(6) 0 0.25 0.0080(1) loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Rh1 0.00584(9) 0.00584(9) 0.0119(1) 0.00292(4) 0 0 Cu1 0.0023(7) 0.0023(7) 0.040(2) 0.0011(4) 0 0 Cu2 0.0023(7) 0.0023(7) 0.040(2) 0.0011(4) 0 0 O 0.0216(8) 0.0216(8) 0.027(1) 0.004(1) -0.0027(7) 0.0027(7) Ba1 0.0132(2) 0.0198(2) 0.0218(2) 0.0099(1) 0.00632(9) 0.0126(2) Ba2 0.0067(1) 0.0051(2) 0.0117(2) 0.00256(9) -0.00146(8) -0.0029(2) loop_ _atom_site_displace_special_func_atom_site_label _atom_site_displace_special_func_sawtooth_ax _atom_site_displace_special_func_sawtooth_ay _atom_site_displace_special_func_sawtooth_az _atom_site_displace_special_func_sawtooth_c _atom_site_displace_special_func_sawtooth_w Rh1 0 0 -0.0910 0 0.4152 Cu1 0 0 -0.0681 0.25 0.0847 Cu2 0 0 -0.0681 0.25 0.0847 O 0 0 -0.1346 0.25 0.5 Ba1 0 0 -0.0260 0.5 0.1883 Ba2 0 0 -0.0206 0 0.1449 loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_y _atom_site_Fourier_wave_vector_z 1 0.00000 0.00000 0.58476 2 0.00000 0.00000 1.16952 loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id Rh1x1 Rh1 x 1 Rh1y1 Rh1 y 1 Rh1z1 Rh1 z 1 Rh1x2 Rh1 x 2 Rh1y2 Rh1 y 2 Rh1z2 Rh1 z 2 Ox1 O x 1 Oy1 O y 1 Oz1 O z 1 Ox2 O x 2 Oy2 O y 2 Oz2 O z 2 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Rh1x1 0 0 Rh1y1 0 0 Rh1z1 0 -0.0059(2) Rh1x2 0 0 Rh1y2 0 0 Rh1z2 0 0.0170(3) Ox1 -0.0009(2) -0.0051(5) Oy1 0.0009(2) -0.0051(5) Oz1 -0.010(2) 0 Ox2 0.0011(5) 0.0009(2) Oy2 0.0011(5) -0.0009(2) Oz2 0 -0.010(1) loop_ _atom_site_U_Fourier_id _atom_site_U_Fourier_atom_site_label _atom_site_U_Fourier_tens_elem _atom_site_U_Fourier_wave_vector_seq_id Rh1U11 Rh1 U11 1 Rh1U22 Rh1 U22 1 Rh1U33 Rh1 U33 1 Rh1U12 Rh1 U12 1 Rh1U13 Rh1 U13 1 Rh1U23 Rh1 U23 1 OU11 O U11 1 OU22 O U22 1 OU33 O U33 1 OU12 O U12 1 OU13 O U13 1 OU23 O U23 1 loop_ _atom_site_U_Fourier_param_id _atom_site_U_Fourier_param_cos _atom_site_U_Fourier_param_sin Rh1U11 -0.0011(1) 0 Rh1U22 -0.0011(1) 0 Rh1U33 -0.0032(2) 0 Rh1U12 -0.00056(5) 0 Rh1U13 0 0 Rh1U23 0 0 OU11 -0.0023(9) 0.015(1) OU22 0.0023(9) 0.015(1) OU33 0 0.017(2) OU12 0 0.004(1) OU13 0.0092(8) -0.0025(9) OU23 0.0092(8) 0.0025(9) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 Rh1 Rh1 2.6245 . 1_554 Rh1 Rh1 2.6245 . 1_556 Rh1 Rh1 2.6245 . 3_554 Rh1 Rh1 2.6245 . 3_556 Rh1 Cu2 5.2722(4) . 1_553 Rh1 Cu2 2.6707(8) . 1_554 Rh1 Cu2 0.495(4) . . Rh1 Cu2 2.6707(8) . 1_556 Rh1 Cu2 5.2722(4) . 1_557 Rh1 Cu2 5.674(5) . 19_444 Rh1 Cu2 5.468(5) . 19_445 Rh1 Cu2 6.098(7) . 19_454 Rh1 Cu2 5.906(8) . 19_455 Rh1 Cu2 5.468(5) . 37_444 Rh1 Cu2 5.674(5) . 37_445 Rh1 Cu2 5.906(8) . 37_544 Rh1 Cu2 6.098(7) . 37_545 Rh1 Cu2 5.2722(4) . 7_553 Rh1 Cu2 2.6707(8) . 7_554 Rh1 Cu2 0.495(4) . 7_555 Rh1 Cu2 2.6707(8) . 7_556 Rh1 Cu2 5.2722(4) . 7_557 Rh1 Cu2 6.098(7) . 25_454 Rh1 Cu2 5.906(8) . 25_455 Rh1 Cu2 5.674(5) . 25_554 Rh1 Cu2 5.468(5) . 25_555 Rh1 Cu2 5.906(8) . 43_544 Rh1 Cu2 6.098(7) . 43_545 Rh1 Cu2 5.468(5) . 43_554 Rh1 Cu2 5.674(5) . 43_555 Rh1 Cu2 5.2722(7) . 2_553 Rh1 Cu2 2.671(1) . 2_554 Rh1 Cu2 0.495(8) . 2_555 Rh1 Cu2 2.671(1) . 2_556 Rh1 Cu2 5.2722(7) . 2_557 Rh1 Cu2 6.098(7) . 20_444 Rh1 Cu2 5.906(7) . 20_445 Rh1 Cu2 5.674(5) . 20_554 Rh1 Cu2 5.468(5) . 20_555 Rh1 Cu2 5.468(9) . 38_544 Rh1 Cu2 5.674(9) . 38_545 Rh1 Cu2 5.906(8) . 38_554 Rh1 Cu2 6.098(8) . 38_555 Rh1 Cu2 5.2722(7) . 8_553 Rh1 Cu2 2.671(1) . 8_554 Rh1 Cu2 0.495(8) . 8_555 Rh1 Cu2 2.671(1) . 8_556 Rh1 Cu2 5.2722(7) . 8_557 Rh1 Cu2 6.098(8) . 26_444 Rh1 Cu2 5.906(8) . 26_445 Rh1 Cu2 5.674(9) . 26_454 Rh1 Cu2 5.468(9) . 26_455 Rh1 Cu2 5.468(5) . 44_444 Rh1 Cu2 5.674(5) . 44_445 Rh1 Cu2 5.906(7) . 44_554 Rh1 Cu2 6.098(7) . 44_555 Rh1 Cu2 5.2722(7) . 4_553 Rh1 Cu2 2.671(1) . 4_554 Rh1 Cu2 0.495(8) . 4_555 Rh1 Cu2 2.671(1) . 4_556 Rh1 Cu2 5.2722(7) . 4_557 Rh1 Cu2 5.674(9) . 22_454 Rh1 Cu2 5.468(9) . 22_455 Rh1 Cu2 6.098(8) . 22_554 Rh1 Cu2 5.906(8) . 22_555 Rh1 Cu2 5.906(7) . 40_444 Rh1 Cu2 6.098(7) . 40_445 Rh1 Cu2 5.468(5) . 40_554 Rh1 Cu2 5.674(5) . 40_555 Rh1 Cu2 5.2722(7) . 10_553 Rh1 Cu2 2.671(1) . 10_554 Rh1 Cu2 0.495(8) . 10_555 Rh1 Cu2 2.671(1) . 10_556 Rh1 Cu2 5.2722(7) . 10_557 Rh1 Cu2 5.674(5) . 28_444 Rh1 Cu2 5.468(5) . 28_445 Rh1 Cu2 6.098(7) . 28_554 Rh1 Cu2 5.906(7) . 28_555 Rh1 Cu2 5.906(8) . 46_444 Rh1 Cu2 6.098(8) . 46_445 Rh1 Cu2 5.468(9) . 46_544 Rh1 Cu2 5.674(9) . 46_545 Rh1 O 4.2297(8) . 1_553 Rh1 O 2.028(2) . 1_554 Rh1 O 2.028(2) . . Rh1 O 4.2297(8) . 1_556 Rh1 O 4.568(3) . 19_444 Rh1 O 4.568(3) . 37_444 Rh1 O 4.2297(8) . 7_554 Rh1 O 2.028(2) . 7_555 Rh1 O 2.028(2) . 7_556 Rh1 O 4.2297(8) . 7_557 Rh1 O 4.568(3) . 25_555 Rh1 O 4.568(3) . 43_555 Rh1 O 4.230(1) . 2_553 Rh1 O 2.028(3) . 2_554 Rh1 O 2.028(3) . 2_555 Rh1 O 4.230(1) . 2_556 Rh1 O 4.568(2) . 20_554 Rh1 O 4.568(4) . 38_544 Rh1 O 4.230(1) . 8_554 Rh1 O 2.028(3) . 8_555 Rh1 O 2.028(3) . 8_556 Rh1 O 4.230(1) . 8_557 Rh1 O 4.568(4) . 26_455 Rh1 O 4.568(2) . 44_445 Rh1 O 4.230(1) . 4_553 Rh1 O 2.028(3) . 4_554 Rh1 O 2.028(3) . 4_555 Rh1 O 4.230(1) . 4_556 Rh1 O 4.568(4) . 22_454 Rh1 O 4.568(2) . 40_554 Rh1 O 4.230(1) . 10_554 Rh1 O 2.028(3) . 10_555 Rh1 O 2.028(3) . 10_556 Rh1 O 4.230(1) . 10_557 Rh1 O 4.568(2) . 28_445 Rh1 O 4.568(4) . 46_545 Rh1 Ba1 3.2983 . . Rh1 Ba1 3.2983 . 1_556 Rh1 Ba1 3.3918 . 19_455 Rh1 Ba1 3.3918 . 19_456 Rh1 Ba1 3.3918 . 37_445 Rh1 Ba1 3.3918 . 37_446 Rh1 Ba1 3.2983 . 7_555 Rh1 Ba1 3.2983 . 7_556 Rh1 Ba1 3.2983 . 7_557 Rh1 Ba1 3.3918 . 25_555 Rh1 Ba1 3.3918 . 25_556 Rh1 Ba1 3.3918 . 43_545 Rh1 Ba1 3.3918 . 43_546 Rh1 Ba1 3.2983 . 2_555 Rh1 Ba1 3.2983 . 2_556 Rh1 Ba1 3.3918 . 20_445 Rh1 Ba1 3.3918 . 20_446 Rh1 Ba1 3.3918 . 38_545 Rh1 Ba1 3.3918 . 38_546 Rh1 Ba1 3.2983 . 8_555 Rh1 Ba1 3.2983 . 8_556 Rh1 Ba1 3.2983 . 8_557 Rh1 Ba1 3.3918 . 26_455 Rh1 Ba1 3.3918 . 26_456 Rh1 Ba1 3.3918 . 44_555 Rh1 Ba1 3.3918 . 44_556 Rh1 Ba1 3.2983 . 4_555 Rh1 Ba1 3.2983 . 4_556 Rh1 Ba1 3.3918 . 22_555 Rh1 Ba1 3.3918 . 22_556 Rh1 Ba1 3.3918 . 40_555 Rh1 Ba1 3.3918 . 40_556 Rh1 Ba1 3.2983 . 10_555 Rh1 Ba1 3.2983 . 10_556 Rh1 Ba1 3.2983 . 10_557 Rh1 Ba1 3.3918 . 28_445 Rh1 Ba1 3.3918 . 28_446 Rh1 Ba1 3.3918 . 46_445 Rh1 Ba1 3.3918 . 46_446 Rh1 Ba2 3.5592 . . Rh1 Ba2 3.5592 . 1_556 Rh1 Ba2 3.2655 . 19_454 Rh1 Ba2 3.2655 . 19_455 Rh1 Ba2 3.2655 . 19_456 Rh1 Ba2 3.2655 . 37_444 Rh1 Ba2 3.2655 . 37_445 Rh1 Ba2 3.2655 . 37_446 Rh1 Ba2 3.5592 . 7_555 Rh1 Ba2 3.5592 . 7_556 Rh1 Ba2 3.2655 . 25_555 Rh1 Ba2 3.2655 . 25_556 Rh1 Ba2 3.2655 . 25_557 Rh1 Ba2 3.2655 . 43_545 Rh1 Ba2 3.2655 . 43_546 Rh1 Ba2 3.2655 . 43_547 Rh1 Ba2 3.5592 . 2_555 Rh1 Ba2 3.5592 . 2_556 Rh1 Ba2 3.2655 . 20_444 Rh1 Ba2 3.2655 . 20_445 Rh1 Ba2 3.2655 . 20_446 Rh1 Ba2 3.2655 . 38_544 Rh1 Ba2 3.2655 . 38_545 Rh1 Ba2 3.2655 . 38_546 Rh1 Ba2 3.5592 . 8_555 Rh1 Ba2 3.5592 . 8_556 Rh1 Ba2 3.2655 . 26_455 Rh1 Ba2 3.2655 . 26_456 Rh1 Ba2 3.2655 . 26_457 Rh1 Ba2 3.2655 . 44_555 Rh1 Ba2 3.2655 . 44_556 Rh1 Ba2 3.2655 . 44_557 Rh1 Ba2 3.5592 . 4_555 Rh1 Ba2 3.5592 . 4_556 Rh1 Ba2 3.2655 . 22_554 Rh1 Ba2 3.2655 . 22_555 Rh1 Ba2 3.2655 . 22_556 Rh1 Ba2 3.2655 . 40_554 Rh1 Ba2 3.2655 . 40_555 Rh1 Ba2 3.2655 . 40_556 Rh1 Ba2 3.5592 . 10_555 Rh1 Ba2 3.5592 . 10_556 Rh1 Ba2 3.2655 . 28_445 Rh1 Ba2 3.2655 . 28_446 Rh1 Ba2 3.2655 . 28_447 Rh1 Ba2 3.2655 . 46_445 Rh1 Ba2 3.2655 . 46_446 Rh1 Ba2 3.2655 . 46_447 Cu2 Rh1 5.2722(4) . 1_553 Cu2 Rh1 2.6707(8) . 1_554 Cu2 Rh1 0.495(4) . . Cu2 Rh1 2.6707(8) . 1_556 Cu2 Rh1 5.2722(4) . 1_557 Cu2 Rh1 6.098(7) . 19_454 Cu2 Rh1 5.906(8) . 19_455 Cu2 Rh1 5.674(5) . 19_554 Cu2 Rh1 5.468(5) . 19_555 Cu2 Rh1 5.906(8) . 37_544 Cu2 Rh1 6.098(7) . 37_545 Cu2 Rh1 5.468(5) . 37_554 Cu2 Rh1 5.674(5) . 37_555 Cu2 Rh1 5.2722(4) . 3_553 Cu2 Rh1 2.6707(8) . 3_554 Cu2 Rh1 0.495(4) . 3_555 Cu2 Rh1 2.6707(8) . 3_556 Cu2 Rh1 5.2722(4) . 3_557 Cu2 Rh1 6.098(7) . 21_454 Cu2 Rh1 5.906(8) . 21_455 Cu2 Rh1 5.674(5) . 21_554 Cu2 Rh1 5.468(5) . 21_555 Cu2 Rh1 5.906(8) . 39_544 Cu2 Rh1 6.098(7) . 39_545 Cu2 Rh1 5.468(5) . 39_554 Cu2 Rh1 5.674(5) . 39_555 Cu2 Cu2 5.249 . 1_553 Cu2 Cu2 2.6245 . 1_554 Cu2 Cu2 2.6245 . 1_556 Cu2 Cu2 5.249 . 1_557 Cu2 Cu2 7.281(6) . 19_443 Cu2 Cu2 6.078(7) . 19_444 Cu2 Cu2 5.886(8) . 19_445 Cu2 Cu2 6.791(7) . 19_446 Cu2 Cu2 7.281(9) . 19_453 Cu2 Cu2 6.08(1) . 19_454 Cu2 Cu2 5.89(1) . 19_455 Cu2 Cu2 6.791(9) . 19_456 Cu2 Cu2 7.281(6) . 19_553 Cu2 Cu2 6.078(7) . 19_554 Cu2 Cu2 5.886(8) . 19_555 Cu2 Cu2 6.791(7) . 19_556 Cu2 Cu2 6.791(7) . 37_443 Cu2 Cu2 5.886(8) . 37_444 Cu2 Cu2 6.078(7) . 37_445 Cu2 Cu2 7.281(6) . 37_446 Cu2 Cu2 6.791(9) . 37_543 Cu2 Cu2 5.89(1) . 37_544 Cu2 Cu2 6.08(1) . 37_545 Cu2 Cu2 7.281(9) . 37_546 Cu2 Cu2 6.791(7) . 37_553 Cu2 Cu2 5.886(8) . 37_554 Cu2 Cu2 6.078(7) . 37_555 Cu2 Cu2 7.281(6) . 37_556 Cu2 Cu2 5.341(1) . 7_553 Cu2 Cu2 2.805(2) . 7_554 Cu2 Cu2 0.989(6) . 7_555 Cu2 Cu2 2.805(2) . 7_556 Cu2 Cu2 5.341(1) . 7_557 Cu2 Cu2 6.920(7) . 25_444 Cu2 Cu2 6.752(7) . 25_445 Cu2 Cu2 7.554(7) . 25_446 Cu2 Cu2 7.348(9) . 25_453 Cu2 Cu2 6.16(1) . 25_454 Cu2 Cu2 5.97(1) . 25_455 Cu2 Cu2 6.863(9) . 25_456 Cu2 Cu2 6.635(6) . 25_553 Cu2 Cu2 5.286(8) . 25_554 Cu2 Cu2 5.064(8) . 25_555 Cu2 Cu2 6.093(7) . 25_556 Cu2 Cu2 7.554(7) . 43_443 Cu2 Cu2 6.752(7) . 43_444 Cu2 Cu2 6.920(7) . 43_445 Cu2 Cu2 6.863(9) . 43_543 Cu2 Cu2 5.97(1) . 43_544 Cu2 Cu2 6.16(1) . 43_545 Cu2 Cu2 7.348(9) . 43_546 Cu2 Cu2 6.093(7) . 43_553 Cu2 Cu2 5.064(8) . 43_554 Cu2 Cu2 5.286(8) . 43_555 Cu2 Cu2 6.635(6) . 43_556 Cu2 Cu2 5.318(1) . 2_553 Cu2 Cu2 2.761(2) . 2_554 Cu2 Cu2 0.857(8) . 2_555 Cu2 Cu2 2.761(2) . 2_556 Cu2 Cu2 5.318(1) . 2_557 Cu2 Cu2 7.663(7) . 20_443 Cu2 Cu2 6.531(8) . 20_444 Cu2 Cu2 6.353(9) . 20_445 Cu2 Cu2 7.200(8) . 20_446 Cu2 Cu2 7.66(1) . 20_453 Cu2 Cu2 6.53(1) . 20_454 Cu2 Cu2 6.35(1) . 20_455 Cu2 Cu2 7.20(1) . 20_456 Cu2 Cu2 6.616(6) . 20_553 Cu2 Cu2 5.263(7) . 20_554 Cu2 Cu2 5.040(7) . 20_555 Cu2 Cu2 6.073(6) . 20_556 Cu2 Cu2 7.538(7) . 38_443 Cu2 Cu2 6.734(8) . 38_444 Cu2 Cu2 6.902(7) . 38_445 Cu2 Cu2 6.47(1) . 38_543 Cu2 Cu2 5.51(1) . 38_544 Cu2 Cu2 5.72(1) . 38_545 Cu2 Cu2 6.983(9) . 38_546 Cu2 Cu2 6.471(9) . 38_553 Cu2 Cu2 5.51(1) . 38_554 Cu2 Cu2 5.72(1) . 38_555 Cu2 Cu2 6.983(8) . 38_556 Cu2 Cu2 5.272(1) . 8_553 Cu2 Cu2 2.671(2) . 8_554 Cu2 Cu2 0.49(1) . 8_555 Cu2 Cu2 2.671(2) . 8_556 Cu2 Cu2 5.272(1) . 8_557 Cu2 Cu2 7.631(8) . 26_443 Cu2 Cu2 6.494(9) . 26_444 Cu2 Cu2 6.314(9) . 26_445 Cu2 Cu2 7.166(8) . 26_446 Cu2 Cu2 6.948(9) . 26_453 Cu2 Cu2 5.67(1) . 26_454 Cu2 Cu2 5.47(1) . 26_455 Cu2 Cu2 6.43(1) . 26_456 Cu2 Cu2 7.298(6) . 26_553 Cu2 Cu2 6.098(8) . 26_554 Cu2 Cu2 5.906(8) . 26_555 Cu2 Cu2 6.809(7) . 26_556 Cu2 Cu2 6.809(6) . 44_443 Cu2 Cu2 5.906(7) . 44_444 Cu2 Cu2 6.098(7) . 44_445 Cu2 Cu2 7.298(6) . 44_446 Cu2 Cu2 7.17(1) . 44_543 Cu2 Cu2 6.31(1) . 44_544 Cu2 Cu2 6.49(1) . 44_545 Cu2 Cu2 7.63(1) . 44_546 Cu2 Cu2 6.433(8) . 44_553 Cu2 Cu2 5.468(9) . 44_554 Cu2 Cu2 5.674(9) . 44_555 Cu2 Cu2 6.948(7) . 44_556 Cu2 Cu2 5.318(1) . 4_553 Cu2 Cu2 2.761(2) . 4_554 Cu2 Cu2 0.857(8) . 4_555 Cu2 Cu2 2.761(2) . 4_556 Cu2 Cu2 5.318(1) . 4_557 Cu2 Cu2 6.902(7) . 22_444 Cu2 Cu2 6.734(8) . 22_445 Cu2 Cu2 7.538(7) . 22_446 Cu2 Cu2 6.983(9) . 22_453 Cu2 Cu2 5.72(1) . 22_454 Cu2 Cu2 5.51(1) . 22_455 Cu2 Cu2 6.47(1) . 22_456 Cu2 Cu2 6.983(8) . 22_553 Cu2 Cu2 5.72(1) . 22_554 Cu2 Cu2 5.51(1) . 22_555 Cu2 Cu2 6.471(9) . 22_556 Cu2 Cu2 7.200(8) . 40_443 Cu2 Cu2 6.353(9) . 40_444 Cu2 Cu2 6.531(8) . 40_445 Cu2 Cu2 7.663(7) . 40_446 Cu2 Cu2 7.20(1) . 40_543 Cu2 Cu2 6.35(1) . 40_544 Cu2 Cu2 6.53(1) . 40_545 Cu2 Cu2 7.66(1) . 40_546 Cu2 Cu2 6.073(6) . 40_553 Cu2 Cu2 5.040(7) . 40_554 Cu2 Cu2 5.263(7) . 40_555 Cu2 Cu2 6.616(6) . 40_556 Cu2 Cu2 5.272(1) . 10_553 Cu2 Cu2 2.671(2) . 10_554 Cu2 Cu2 0.49(1) . 10_555 Cu2 Cu2 2.671(2) . 10_556 Cu2 Cu2 5.272(1) . 10_557 Cu2 Cu2 7.298(6) . 28_443 Cu2 Cu2 6.098(7) . 28_444 Cu2 Cu2 5.906(7) . 28_445 Cu2 Cu2 6.809(6) . 28_446 Cu2 Cu2 7.63(1) . 28_453 Cu2 Cu2 6.49(1) . 28_454 Cu2 Cu2 6.31(1) . 28_455 Cu2 Cu2 7.17(1) . 28_456 Cu2 Cu2 6.948(7) . 28_553 Cu2 Cu2 5.674(9) . 28_554 Cu2 Cu2 5.468(9) . 28_555 Cu2 Cu2 6.433(8) . 28_556 Cu2 Cu2 7.166(8) . 46_443 Cu2 Cu2 6.314(9) . 46_444 Cu2 Cu2 6.494(9) . 46_445 Cu2 Cu2 7.631(8) . 46_446 Cu2 Cu2 6.43(1) . 46_543 Cu2 Cu2 5.47(1) . 46_544 Cu2 Cu2 5.67(1) . 46_545 Cu2 Cu2 6.948(9) . 46_546 Cu2 Cu2 6.809(7) . 46_553 Cu2 Cu2 5.906(8) . 46_554 Cu2 Cu2 6.098(8) . 46_555 Cu2 Cu2 7.298(6) . 46_556 Cu2 O 4.075(1) . 1_553 Cu2 O 1.682(3) . 1_554 Cu2 O 1.682(3) . . Cu2 O 4.075(1) . 1_556 Cu2 O 5.810(5) . 19_443 Cu2 O 4.956(6) . 19_444 Cu2 O 5.400(6) . 19_445 Cu2 O 5.931(8) . 19_454 Cu2 O 6.306(8) . 19_455 Cu2 O 5.400(6) . 37_443 Cu2 O 4.956(6) . 37_444 Cu2 O 5.810(5) . 37_445 Cu2 O 6.306(8) . 37_543 Cu2 O 5.931(8) . 37_544 Cu2 O 4.435(2) . 7_554 Cu2 O 2.427(4) . 7_555 Cu2 O 2.427(4) . 7_556 Cu2 O 4.435(2) . 7_557 Cu2 O 6.183(8) . 25_455 Cu2 O 5.181(5) . 25_554 Cu2 O 4.202(7) . 25_555 Cu2 O 4.717(6) . 25_556 Cu2 O 6.373(4) . 25_557 Cu2 O 6.183(8) . 43_545 Cu2 O 6.373(4) . 43_553 Cu2 O 4.717(6) . 43_554 Cu2 O 4.202(7) . 43_555 Cu2 O 5.181(5) . 43_556 Cu2 O 4.347(3) . 2_553 Cu2 O 2.264(6) . 2_554 Cu2 O 2.264(6) . 2_555 Cu2 O 4.347(3) . 2_556 Cu2 O 5.106(4) . 20_553 Cu2 O 4.110(5) . 20_554 Cu2 O 4.635(5) . 20_555 Cu2 O 6.313(4) . 20_556 Cu2 O 5.145(8) . 38_543 Cu2 O 4.677(9) . 38_544 Cu2 O 5.573(7) . 38_545 Cu2 O 6.089(7) . 38_553 Cu2 O 5.700(8) . 38_554 Cu2 O 4.168(3) . 8_554 Cu2 O 1.896(6) . 8_555 Cu2 O 1.896(6) . 8_556 Cu2 O 4.168(3) . 8_557 Cu2 O 5.434(7) . 26_454 Cu2 O 4.511(9) . 26_455 Cu2 O 4.994(8) . 26_456 Cu2 O 5.470(5) . 44_444 Cu2 O 5.033(5) . 44_445 Cu2 O 5.875(5) . 44_446 Cu2 O 5.962(5) . 44_554 Cu2 O 5.564(6) . 44_555 Cu2 O 6.335(5) . 44_556 Cu2 O 4.347(3) . 4_553 Cu2 O 2.264(6) . 4_554 Cu2 O 2.264(6) . 4_555 Cu2 O 4.347(3) . 4_556 Cu2 O 5.573(7) . 22_453 Cu2 O 4.677(9) . 22_454 Cu2 O 5.145(8) . 22_455 Cu2 O 5.700(8) . 22_554 Cu2 O 6.089(7) . 22_555 Cu2 O 6.313(4) . 40_552 Cu2 O 4.635(5) . 40_553 Cu2 O 4.110(5) . 40_554 Cu2 O 5.106(4) . 40_555 Cu2 O 4.168(3) . 10_554 Cu2 O 1.896(6) . 10_555 Cu2 O 1.896(6) . 10_556 Cu2 O 4.168(3) . 10_557 Cu2 O 5.875(5) . 28_444 Cu2 O 5.033(5) . 28_445 Cu2 O 5.470(5) . 28_446 Cu2 O 6.335(5) . 28_554 Cu2 O 5.564(6) . 28_555 Cu2 O 5.962(5) . 28_556 Cu2 O 4.994(8) . 46_544 Cu2 O 4.511(9) . 46_545 Cu2 O 5.434(7) . 46_546 Cu2 Ba1 3.0809 . 1_554 Cu2 Ba1 3.0809 . . Cu2 Ba1 3.0809 . 1_556 Cu2 Ba1 3.1809 . 19_454 Cu2 Ba1 3.1809 . 19_455 Cu2 Ba1 3.1809 . 19_456 Cu2 Ba1 3.8862 . 37_444 Cu2 Ba1 3.8862 . 37_445 Cu2 Ba1 3.8862 . 37_446 Cu2 Ba1 6.1954 . 37_555 Cu2 Ba1 3.5713 . 7_555 Cu2 Ba1 3.5713 . 7_556 Cu2 Ba1 3.5713 . 7_557 Cu2 Ba1 2.8974 . 25_555 Cu2 Ba1 2.8974 . 25_556 Cu2 Ba1 2.8974 . 25_557 Cu2 Ba1 3.6578 . 43_545 Cu2 Ba1 3.6578 . 43_546 Cu2 Ba1 3.6578 . 43_547 Cu2 Ba1 3.0809 . 2_554 Cu2 Ba1 3.0809 . 2_555 Cu2 Ba1 3.0809 . 2_556 Cu2 Ba1 3.8862 . 20_444 Cu2 Ba1 3.8862 . 20_445 Cu2 Ba1 3.8862 . 20_446 Cu2 Ba1 6.1954 . 20_555 Cu2 Ba1 3.1809 . 38_544 Cu2 Ba1 3.1809 . 38_545 Cu2 Ba1 3.1809 . 38_546 Cu2 Ba1 3.5713 . 8_555 Cu2 Ba1 3.5713 . 8_556 Cu2 Ba1 3.5713 . 8_557 Cu2 Ba1 3.6578 . 26_455 Cu2 Ba1 3.6578 . 26_456 Cu2 Ba1 3.6578 . 26_457 Cu2 Ba1 2.8974 . 44_555 Cu2 Ba1 2.8974 . 44_556 Cu2 Ba1 2.8974 . 44_557 Cu2 Ba1 3.7928 . 4_554 Cu2 Ba1 3.7928 . 4_555 Cu2 Ba1 3.7928 . 4_556 Cu2 Ba1 3.1663 . 22_554 Cu2 Ba1 3.1663 . 22_555 Cu2 Ba1 3.1663 . 22_556 Cu2 Ba1 3.1663 . 40_554 Cu2 Ba1 3.1663 . 40_555 Cu2 Ba1 3.1663 . 40_556 Cu2 Ba1 2.8038 . 10_555 Cu2 Ba1 2.8038 . 10_556 Cu2 Ba1 2.8038 . 10_557 Cu2 Ba1 3.6704 . 28_445 Cu2 Ba1 3.6704 . 28_446 Cu2 Ba1 3.6704 . 28_447 Cu2 Ba1 3.6704 . 46_445 Cu2 Ba1 3.6704 . 46_446 Cu2 Ba1 3.6704 . 46_447 Cu2 Ba2 3.3395 . 1_554 Cu2 Ba2 3.3395 . . Cu2 Ba2 3.3395 . 1_556 Cu2 Ba2 3.0245 . 19_454 Cu2 Ba2 3.0245 . 19_455 Cu2 Ba2 3.0245 . 19_456 Cu2 Ba2 3.7593 . 37_444 Cu2 Ba2 3.7593 . 37_445 Cu2 Ba2 3.7593 . 37_446 Cu2 Ba2 3.8304 . 7_555 Cu2 Ba2 3.8304 . 7_556 Cu2 Ba2 3.8304 . 7_557 Cu2 Ba2 2.7718 . 25_555 Cu2 Ba2 2.7718 . 25_556 Cu2 Ba2 2.7718 . 25_557 Cu2 Ba2 3.5592 . 43_545 Cu2 Ba2 3.5592 . 43_546 Cu2 Ba2 3.5592 . 43_547 Cu2 Ba2 3.3395 . 2_554 Cu2 Ba2 3.3395 . 2_555 Cu2 Ba2 3.3395 . 2_556 Cu2 Ba2 3.7593 . 20_444 Cu2 Ba2 3.7593 . 20_445 Cu2 Ba2 3.7593 . 20_446 Cu2 Ba2 3.0245 . 38_544 Cu2 Ba2 3.0245 . 38_545 Cu2 Ba2 3.0245 . 38_546 Cu2 Ba2 3.8304 . 8_555 Cu2 Ba2 3.8304 . 8_556 Cu2 Ba2 3.8304 . 8_557 Cu2 Ba2 3.5592 . 26_455 Cu2 Ba2 3.5592 . 26_456 Cu2 Ba2 3.5592 . 26_457 Cu2 Ba2 2.7718 . 44_555 Cu2 Ba2 2.7718 . 44_556 Cu2 Ba2 2.7718 . 44_557 Cu2 Ba2 4.0537 . 4_554 Cu2 Ba2 4.0537 . 4_555 Cu2 Ba2 4.0537 . 4_556 Cu2 Ba2 6.0273 . 4_665 Cu2 Ba2 6.0273 . 4_666 Cu2 Ba2 3.0729 . 22_554 Cu2 Ba2 3.0729 . 22_555 Cu2 Ba2 3.0729 . 22_556 Cu2 Ba2 3.0729 . 40_554 Cu2 Ba2 3.0729 . 40_555 Cu2 Ba2 3.0729 . 40_556 Cu2 Ba2 3.0647 . 10_555 Cu2 Ba2 3.0647 . 10_556 Cu2 Ba2 3.0647 . 10_557 Cu2 Ba2 3.5175 . 28_445 Cu2 Ba2 3.5175 . 28_446 Cu2 Ba2 3.5175 . 28_447 Cu2 Ba2 3.5175 . 46_445 Cu2 Ba2 3.5175 . 46_446 Cu2 Ba2 3.5175 . 46_447 O Rh1 4.2297(8) . 1_554 O Rh1 2.028(2) . . O Rh1 2.028(2) . 1_556 O Rh1 4.2297(8) . 1_557 O Rh1 4.568(3) . 19_555 O Rh1 4.568(3) . 37_555 O Rh1 4.2297(8) . 3_554 O Rh1 2.028(2) . 3_555 O Rh1 2.028(2) . 3_556 O Rh1 4.2297(8) . 3_557 O Rh1 4.568(3) . 21_555 O Rh1 4.568(3) . 39_555 O Cu2 4.075(1) . 1_554 O Cu2 1.682(3) . . O Cu2 1.682(3) . 1_556 O Cu2 4.075(1) . 1_557 O Cu2 5.931(8) . 19_455 O Cu2 6.306(8) . 19_456 O Cu2 5.810(5) . 19_554 O Cu2 4.956(6) . 19_555 O Cu2 5.400(6) . 19_556 O Cu2 6.306(8) . 37_544 O Cu2 5.931(8) . 37_545 O Cu2 5.400(6) . 37_554 O Cu2 4.956(6) . 37_555 O Cu2 5.810(5) . 37_556 O Cu2 4.435(2) . 7_554 O Cu2 2.427(4) . 7_555 O Cu2 2.427(4) . 7_556 O Cu2 4.435(2) . 7_557 O Cu2 6.183(8) . 25_455 O Cu2 5.181(5) . 25_554 O Cu2 4.202(7) . 25_555 O Cu2 4.717(6) . 25_556 O Cu2 6.373(4) . 25_557 O Cu2 6.183(8) . 43_545 O Cu2 6.373(4) . 43_553 O Cu2 4.717(6) . 43_554 O Cu2 4.202(7) . 43_555 O Cu2 5.181(5) . 43_556 O Cu2 4.347(2) . 2_554 O Cu2 2.264(4) . 2_555 O Cu2 2.264(4) . 2_556 O Cu2 4.347(2) . 2_557 O Cu2 5.106(5) . 20_554 O Cu2 4.110(6) . 20_555 O Cu2 4.635(6) . 20_556 O Cu2 6.313(4) . 20_557 O Cu2 6.089(9) . 38_544 O Cu2 5.70(1) . 38_545 O Cu2 5.145(8) . 38_554 O Cu2 4.677(9) . 38_555 O Cu2 5.573(8) . 38_556 O Cu2 4.168(2) . 8_554 O Cu2 1.896(5) . 8_555 O Cu2 1.896(5) . 8_556 O Cu2 4.168(2) . 8_557 O Cu2 6.335(8) . 26_454 O Cu2 5.564(9) . 26_455 O Cu2 5.962(9) . 26_456 O Cu2 5.875(6) . 26_554 O Cu2 5.033(7) . 26_555 O Cu2 5.470(6) . 26_556 O Cu2 4.994(7) . 44_554 O Cu2 4.511(8) . 44_555 O Cu2 5.434(7) . 44_556 O Cu2 4.347(2) . 4_554 O Cu2 2.264(4) . 4_555 O Cu2 2.264(4) . 4_556 O Cu2 4.347(2) . 4_557 O Cu2 5.70(1) . 22_455 O Cu2 6.089(9) . 22_456 O Cu2 5.573(8) . 22_554 O Cu2 4.677(9) . 22_555 O Cu2 5.145(8) . 22_556 O Cu2 6.313(4) . 40_553 O Cu2 4.635(6) . 40_554 O Cu2 4.110(6) . 40_555 O Cu2 5.106(5) . 40_556 O Cu2 4.168(2) . 10_554 O Cu2 1.896(5) . 10_555 O Cu2 1.896(5) . 10_556 O Cu2 4.168(2) . 10_557 O Cu2 5.434(7) . 28_554 O Cu2 4.511(8) . 28_555 O Cu2 4.994(7) . 28_556 O Cu2 5.962(9) . 46_544 O Cu2 5.564(9) . 46_545 O Cu2 6.335(8) . 46_546 O Cu2 5.470(6) . 46_554 O Cu2 5.033(7) . 46_555 O Cu2 5.875(6) . 46_556 O O 2.6245 . 1_554 O O 2.6245 . 1_556 O O 4.057(2) . 7_555 O O 3.094(3) . 7_556 O O 4.057(2) . 7_557 O O 3.914(4) . 25_555 O O 3.609(4) . 25_556 O O 4.950(3) . 25_557 O O 4.950(3) . 43_554 O O 3.609(4) . 43_555 O O 3.914(4) . 43_556 O O 3.750(2) . 2_554 O O 2.679(4) . 2_555 O O 3.750(2) . 2_556 O O 3.596(3) . 20_554 O O 3.261(3) . 20_555 O O 4.702(2) . 20_556 O O 3.046(3) . 8_555 O O 1.547(5) . 8_556 O O 3.046(3) . 8_557 O O 4.872(5) . 26_455 O O 4.630(5) . 26_456 O O 4.630(4) . 44_555 O O 4.872(4) . 44_556 O O 3.750(2) . 4_554 O O 2.679(4) . 4_555 O O 3.750(2) . 4_556 O O 4.702(2) . 40_553 O O 3.261(3) . 40_554 O O 3.596(3) . 40_555 O O 3.046(3) . 10_555 O O 1.547(5) . 10_556 O O 3.046(3) . 10_557 O O 4.872(4) . 28_555 O O 4.630(4) . 28_556 O O 4.630(5) . 46_545 O O 4.872(5) . 46_546 O Ba1 2.8582 . . O Ba1 2.8582 . 1_556 O Ba1 2.9657 . 19_455 O Ba1 2.9657 . 19_456 O Ba1 4.2864 . 7_556 O Ba1 4.2864 . 7_557 O Ba1 1.8454 . 25_555 O Ba1 1.8454 . 25_556 O Ba1 1.8454 . 25_557 O Ba1 4.3587 . 43_546 O Ba1 4.3587 . 43_547 O Ba1 2.8582 . 2_555 O Ba1 2.8582 . 2_556 O Ba1 2.9657 . 38_545 O Ba1 2.9657 . 38_546 O Ba1 4.2864 . 8_556 O Ba1 4.2864 . 8_557 O Ba1 4.3587 . 26_456 O Ba1 4.3587 . 26_457 O Ba1 1.8454 . 44_555 O Ba1 1.8454 . 44_556 O Ba1 1.8454 . 44_557 O Ba1 4.8451 . 4_555 O Ba1 4.8451 . 4_556 O Ba1 2.9167 . 22_555 O Ba1 2.9167 . 22_556 O Ba1 2.9167 . 40_555 O Ba1 2.9167 . 40_556 O Ba1 1.7515 . 10_555 O Ba1 1.7515 . 10_556 O Ba1 1.7515 . 10_557 O Ba1 4.3917 . 28_446 O Ba1 4.3917 . 28_447 O Ba1 4.3917 . 46_446 O Ba1 4.3917 . 46_447 O Ba2 3.0911 . . O Ba2 3.0911 . 1_556 O Ba2 2.7478 . 19_455 O Ba2 2.7478 . 19_456 O Ba2 4.8108 . 37_445 O Ba2 4.8108 . 37_446 O Ba2 4.5349 . 7_556 O Ba2 1.7227 . 25_555 O Ba2 1.7227 . 25_556 O Ba2 1.7227 . 25_557 O Ba2 4.3083 . 43_546 O Ba2 4.3083 . 43_547 O Ba2 3.0911 . 2_555 O Ba2 3.0911 . 2_556 O Ba2 4.8108 . 20_445 O Ba2 4.8108 . 20_446 O Ba2 2.7478 . 38_545 O Ba2 2.7478 . 38_546 O Ba2 4.5349 . 8_556 O Ba2 4.3083 . 26_456 O Ba2 4.3083 . 26_457 O Ba2 1.7227 . 44_555 O Ba2 1.7227 . 44_556 O Ba2 1.7227 . 44_557 O Ba2 2.9109 . 22_555 O Ba2 2.9109 . 22_556 O Ba2 2.9109 . 40_555 O Ba2 2.9109 . 40_556 O Ba2 2.0124 . 10_555 O Ba2 2.0124 . 10_556 O Ba2 2.0124 . 10_557 O Ba2 4.1998 . 28_445 O Ba2 4.1998 . 28_446 O Ba2 4.1998 . 28_447 O Ba2 4.1998 . 46_445 O Ba2 4.1998 . 46_446 O Ba2 4.1998 . 46_447 Ba1 Rh1 3.2983 . . Ba1 Rh1 3.2983 . 1_556 Ba1 Rh1 3.2983 . 1_557 Ba1 Rh1 3.3918 . 19_554 Ba1 Rh1 3.3918 . 19_555 Ba1 Rh1 3.3918 . 19_556 Ba1 Rh1 3.3918 . 19_557 Ba1 Rh1 3.3918 . 37_544 Ba1 Rh1 3.3918 . 37_545 Ba1 Rh1 3.3918 . 37_546 Ba1 Rh1 3.3918 . 37_547 Ba1 Rh1 3.2983 . 3_555 Ba1 Rh1 3.2983 . 3_556 Ba1 Rh1 3.2983 . 3_557 Ba1 Rh1 3.3918 . 21_554 Ba1 Rh1 3.3918 . 21_555 Ba1 Rh1 3.3918 . 21_556 Ba1 Rh1 3.3918 . 21_557 Ba1 Rh1 3.3918 . 39_544 Ba1 Rh1 3.3918 . 39_545 Ba1 Rh1 3.3918 . 39_546 Ba1 Rh1 3.3918 . 39_547 Ba1 Cu2 3.0809 . 1_554 Ba1 Cu2 3.0809 . . Ba1 Cu2 3.0809 . 1_556 Ba1 Cu2 3.0809 . 1_557 Ba1 Cu2 3.0809 . 1_558 Ba1 Cu2 6.1954 . 19_445 Ba1 Cu2 6.1954 . 19_446 Ba1 Cu2 3.8862 . 19_554 Ba1 Cu2 3.8862 . 19_555 Ba1 Cu2 3.8862 . 19_556 Ba1 Cu2 3.8862 . 19_557 Ba1 Cu2 3.1809 . 37_543 Ba1 Cu2 3.1809 . 37_544 Ba1 Cu2 3.1809 . 37_545 Ba1 Cu2 3.1809 . 37_546 Ba1 Cu2 3.1809 . 37_547 Ba1 Cu2 3.5713 . 7_554 Ba1 Cu2 3.5713 . 7_555 Ba1 Cu2 3.5713 . 7_556 Ba1 Cu2 3.5713 . 7_557 Ba1 Cu2 3.5713 . 7_558 Ba1 Cu2 2.8974 . 25_553 Ba1 Cu2 2.8974 . 25_554 Ba1 Cu2 2.8974 . 25_555 Ba1 Cu2 2.8974 . 25_556 Ba1 Cu2 2.8974 . 25_557 Ba1 Cu2 2.8974 . 25_558 Ba1 Cu2 3.6578 . 43_543 Ba1 Cu2 3.6578 . 43_544 Ba1 Cu2 3.6578 . 43_545 Ba1 Cu2 3.6578 . 43_546 Ba1 Cu2 3.6578 . 43_547 Ba1 Cu2 3.7928 . 2_554 Ba1 Cu2 3.7928 . 2_555 Ba1 Cu2 3.7928 . 2_556 Ba1 Cu2 3.7928 . 2_557 Ba1 Cu2 3.7928 . 2_558 Ba1 Cu2 3.1663 . 20_554 Ba1 Cu2 3.1663 . 20_555 Ba1 Cu2 3.1663 . 20_556 Ba1 Cu2 3.1663 . 20_557 Ba1 Cu2 3.1663 . 20_558 Ba1 Cu2 3.1663 . 38_543 Ba1 Cu2 3.1663 . 38_544 Ba1 Cu2 3.1663 . 38_545 Ba1 Cu2 3.1663 . 38_546 Ba1 Cu2 3.1663 . 38_547 Ba1 Cu2 2.8038 . 8_554 Ba1 Cu2 2.8038 . 8_555 Ba1 Cu2 2.8038 . 8_556 Ba1 Cu2 2.8038 . 8_557 Ba1 Cu2 2.8038 . 8_558 Ba1 Cu2 3.6704 . 26_554 Ba1 Cu2 3.6704 . 26_555 Ba1 Cu2 3.6704 . 26_556 Ba1 Cu2 3.6704 . 26_557 Ba1 Cu2 3.6704 . 26_558 Ba1 Cu2 3.6704 . 44_543 Ba1 Cu2 3.6704 . 44_544 Ba1 Cu2 3.6704 . 44_545 Ba1 Cu2 3.6704 . 44_546 Ba1 Cu2 3.6704 . 44_547 Ba1 Cu2 3.0809 . 4_554 Ba1 Cu2 3.0809 . 4_555 Ba1 Cu2 3.0809 . 4_556 Ba1 Cu2 3.0809 . 4_557 Ba1 Cu2 3.0809 . 4_558 Ba1 Cu2 3.1809 . 22_554 Ba1 Cu2 3.1809 . 22_555 Ba1 Cu2 3.1809 . 22_556 Ba1 Cu2 3.1809 . 22_557 Ba1 Cu2 3.1809 . 22_558 Ba1 Cu2 3.8862 . 40_543 Ba1 Cu2 3.8862 . 40_544 Ba1 Cu2 3.8862 . 40_545 Ba1 Cu2 3.8862 . 40_546 Ba1 Cu2 3.8862 . 40_547 Ba1 Cu2 6.1954 . 40_555 Ba1 Cu2 6.1954 . 40_556 Ba1 Cu2 3.5713 . 10_554 Ba1 Cu2 3.5713 . 10_555 Ba1 Cu2 3.5713 . 10_556 Ba1 Cu2 3.5713 . 10_557 Ba1 Cu2 3.5713 . 10_558 Ba1 Cu2 3.6578 . 28_554 Ba1 Cu2 3.6578 . 28_555 Ba1 Cu2 3.6578 . 28_556 Ba1 Cu2 3.6578 . 28_557 Ba1 Cu2 3.6578 . 28_558 Ba1 Cu2 2.8974 . 46_543 Ba1 Cu2 2.8974 . 46_544 Ba1 Cu2 2.8974 . 46_545 Ba1 Cu2 2.8974 . 46_546 Ba1 Cu2 2.8974 . 46_547 Ba1 O 2.8582 . 1_554 Ba1 O 2.8582 . . Ba1 O 2.8582 . 1_556 Ba1 O 2.8582 . 1_557 Ba1 O 2.9657 . 37_543 Ba1 O 2.9657 . 37_544 Ba1 O 2.9657 . 37_545 Ba1 O 2.9657 . 37_546 Ba1 O 4.2864 . 7_556 Ba1 O 4.2864 . 7_557 Ba1 O 1.8454 . 25_554 Ba1 O 1.8454 . 25_555 Ba1 O 1.8454 . 25_556 Ba1 O 1.8454 . 25_557 Ba1 O 1.8454 . 25_558 Ba1 O 4.3587 . 43_545 Ba1 O 4.3587 . 43_546 Ba1 O 4.3587 . 43_547 Ba1 O 4.8451 . 2_555 Ba1 O 4.8451 . 2_556 Ba1 O 2.9167 . 20_554 Ba1 O 2.9167 . 20_555 Ba1 O 2.9167 . 20_556 Ba1 O 2.9167 . 20_557 Ba1 O 2.9167 . 38_543 Ba1 O 2.9167 . 38_544 Ba1 O 2.9167 . 38_545 Ba1 O 2.9167 . 38_546 Ba1 O 1.7515 . 8_555 Ba1 O 1.7515 . 8_556 Ba1 O 1.7515 . 8_557 Ba1 O 1.7515 . 8_558 Ba1 O 4.3917 . 26_555 Ba1 O 4.3917 . 26_556 Ba1 O 4.3917 . 26_557 Ba1 O 4.3917 . 44_545 Ba1 O 4.3917 . 44_546 Ba1 O 4.3917 . 44_547 Ba1 O 2.8582 . 4_554 Ba1 O 2.8582 . 4_555 Ba1 O 2.8582 . 4_556 Ba1 O 2.8582 . 4_557 Ba1 O 2.9657 . 22_554 Ba1 O 2.9657 . 22_555 Ba1 O 2.9657 . 22_556 Ba1 O 2.9657 . 22_557 Ba1 O 4.2864 . 10_556 Ba1 O 4.2864 . 10_557 Ba1 O 4.3587 . 28_555 Ba1 O 4.3587 . 28_556 Ba1 O 4.3587 . 28_557 Ba1 O 1.8454 . 46_544 Ba1 O 1.8454 . 46_545 Ba1 O 1.8454 . 46_546 Ba1 O 1.8454 . 46_547 Ba1 Ba1 4.4882 . 1_554 Ba1 Ba1 4.4882 . 1_556 Ba1 Ba1 4.1446(6) . 7_655 Ba1 Ba1 4.1446(6) . 7_656 Ba1 Ba1 3.9907(3) . 25_555 Ba1 Ba1 3.9907(3) . 25_556 Ba1 Ba1 3.9907(3) . 43_545 Ba1 Ba1 3.9907(3) . 43_546 Ba1 Ba1 4.4895 . 38_544 Ba1 Ba1 0.1075(7) . 38_545 Ba1 Ba1 4.4895 . 38_546 Ba1 Ba1 3.9893(3) . 8_555 Ba1 Ba1 3.9893(3) . 8_556 Ba1 Ba1 4.0670(5) . 26_555 Ba1 Ba1 4.0670(5) . 26_556 Ba1 Ba1 4.0670(5) . 44_555 Ba1 Ba1 4.0670(5) . 44_556 Ba1 Ba1 4.4895 . 22_554 Ba1 Ba1 0.1075(7) . 22_555 Ba1 Ba1 4.4895 . 22_556 Ba1 Ba1 3.9893(5) . 10_555 Ba1 Ba1 3.9893(5) . 10_556 Ba1 Ba1 4.0670(4) . 28_445 Ba1 Ba1 4.0670(4) . 28_446 Ba1 Ba1 4.0670(7) . 46_545 Ba1 Ba1 4.0670(7) . 46_546 Ba1 Ba2 4.4957 . 1_554 Ba1 Ba2 0.2609(8) . . Ba1 Ba2 4.4957 . 1_556 Ba1 Ba2 3.9277(7) . 7_655 Ba1 Ba2 3.9277(7) . 7_656 Ba1 Ba2 4.0995(4) . 25_555 Ba1 Ba2 4.0995(4) . 25_556 Ba1 Ba2 4.0995(4) . 43_545 Ba1 Ba2 4.0995(4) . 43_546 Ba1 Ba2 4.4916 . 38_544 Ba1 Ba2 0.1762(6) . 38_545 Ba1 Ba2 4.4916 . 38_546 Ba1 Ba2 4.1040(3) . 8_555 Ba1 Ba2 4.1040(3) . 8_556 Ba1 Ba2 4.1796(5) . 26_555 Ba1 Ba2 4.1796(5) . 26_556 Ba1 Ba2 3.8521(5) . 44_555 Ba1 Ba2 3.8521(5) . 44_556 Ba1 Ba2 4.4916 . 22_554 Ba1 Ba2 0.1762(5) . 22_555 Ba1 Ba2 4.4916 . 22_556 Ba1 Ba2 4.1040(6) . 10_555 Ba1 Ba2 4.1040(6) . 10_556 Ba1 Ba2 3.8521(4) . 28_445 Ba1 Ba2 3.8521(4) . 28_446 Ba1 Ba2 4.1796(7) . 46_545 Ba1 Ba2 4.1796(7) . 46_546 Ba2 Rh1 3.5592 . . Ba2 Rh1 3.5592 . 1_556 Ba2 Rh1 3.5592 . 1_557 Ba2 Rh1 3.2655 . 19_554 Ba2 Rh1 3.2655 . 19_555 Ba2 Rh1 3.2655 . 19_556 Ba2 Rh1 3.2655 . 19_557 Ba2 Rh1 3.2655 . 37_544 Ba2 Rh1 3.2655 . 37_545 Ba2 Rh1 3.2655 . 37_546 Ba2 Rh1 3.2655 . 37_547 Ba2 Rh1 3.5592 . 3_555 Ba2 Rh1 3.5592 . 3_556 Ba2 Rh1 3.5592 . 3_557 Ba2 Rh1 3.2655 . 21_554 Ba2 Rh1 3.2655 . 21_555 Ba2 Rh1 3.2655 . 21_556 Ba2 Rh1 3.2655 . 21_557 Ba2 Rh1 3.2655 . 39_544 Ba2 Rh1 3.2655 . 39_545 Ba2 Rh1 3.2655 . 39_546 Ba2 Rh1 3.2655 . 39_547 Ba2 Cu2 3.3395 . 1_554 Ba2 Cu2 3.3395 . . Ba2 Cu2 3.3395 . 1_556 Ba2 Cu2 3.3395 . 1_557 Ba2 Cu2 3.3395 . 1_558 Ba2 Cu2 3.7593 . 19_554 Ba2 Cu2 3.7593 . 19_555 Ba2 Cu2 3.7593 . 19_556 Ba2 Cu2 3.7593 . 19_557 Ba2 Cu2 3.7593 . 19_558 Ba2 Cu2 3.0245 . 37_543 Ba2 Cu2 3.0245 . 37_544 Ba2 Cu2 3.0245 . 37_545 Ba2 Cu2 3.0245 . 37_546 Ba2 Cu2 3.0245 . 37_547 Ba2 Cu2 3.8304 . 7_554 Ba2 Cu2 3.8304 . 7_555 Ba2 Cu2 3.8304 . 7_556 Ba2 Cu2 3.8304 . 7_557 Ba2 Cu2 3.8304 . 7_558 Ba2 Cu2 2.7718 . 25_553 Ba2 Cu2 2.7718 . 25_554 Ba2 Cu2 2.7718 . 25_555 Ba2 Cu2 2.7718 . 25_556 Ba2 Cu2 2.7718 . 25_557 Ba2 Cu2 2.7718 . 25_558 Ba2 Cu2 3.5592 . 43_543 Ba2 Cu2 3.5592 . 43_544 Ba2 Cu2 3.5592 . 43_545 Ba2 Cu2 3.5592 . 43_546 Ba2 Cu2 3.5592 . 43_547 Ba2 Cu2 4.0537 . 2_554 Ba2 Cu2 4.0537 . 2_555 Ba2 Cu2 4.0537 . 2_556 Ba2 Cu2 4.0537 . 2_557 Ba2 Cu2 4.0537 . 2_558 Ba2 Cu2 6.0273 . 2_655 Ba2 Cu2 6.0273 . 2_656 Ba2 Cu2 6.0273 . 2_657 Ba2 Cu2 3.0729 . 20_554 Ba2 Cu2 3.0729 . 20_555 Ba2 Cu2 3.0729 . 20_556 Ba2 Cu2 3.0729 . 20_557 Ba2 Cu2 3.0729 . 20_558 Ba2 Cu2 3.0729 . 38_543 Ba2 Cu2 3.0729 . 38_544 Ba2 Cu2 3.0729 . 38_545 Ba2 Cu2 3.0729 . 38_546 Ba2 Cu2 3.0729 . 38_547 Ba2 Cu2 3.0647 . 8_554 Ba2 Cu2 3.0647 . 8_555 Ba2 Cu2 3.0647 . 8_556 Ba2 Cu2 3.0647 . 8_557 Ba2 Cu2 3.0647 . 8_558 Ba2 Cu2 3.5175 . 26_554 Ba2 Cu2 3.5175 . 26_555 Ba2 Cu2 3.5175 . 26_556 Ba2 Cu2 3.5175 . 26_557 Ba2 Cu2 3.5175 . 26_558 Ba2 Cu2 3.5175 . 44_543 Ba2 Cu2 3.5175 . 44_544 Ba2 Cu2 3.5175 . 44_545 Ba2 Cu2 3.5175 . 44_546 Ba2 Cu2 3.5175 . 44_547 Ba2 Cu2 3.3395 . 4_554 Ba2 Cu2 3.3395 . 4_555 Ba2 Cu2 3.3395 . 4_556 Ba2 Cu2 3.3395 . 4_557 Ba2 Cu2 3.3395 . 4_558 Ba2 Cu2 3.0245 . 22_554 Ba2 Cu2 3.0245 . 22_555 Ba2 Cu2 3.0245 . 22_556 Ba2 Cu2 3.0245 . 22_557 Ba2 Cu2 3.0245 . 22_558 Ba2 Cu2 3.7593 . 40_543 Ba2 Cu2 3.7593 . 40_544 Ba2 Cu2 3.7593 . 40_545 Ba2 Cu2 3.7593 . 40_546 Ba2 Cu2 3.7593 . 40_547 Ba2 Cu2 3.8304 . 10_554 Ba2 Cu2 3.8304 . 10_555 Ba2 Cu2 3.8304 . 10_556 Ba2 Cu2 3.8304 . 10_557 Ba2 Cu2 3.8304 . 10_558 Ba2 Cu2 3.5592 . 28_554 Ba2 Cu2 3.5592 . 28_555 Ba2 Cu2 3.5592 . 28_556 Ba2 Cu2 3.5592 . 28_557 Ba2 Cu2 3.5592 . 28_558 Ba2 Cu2 2.7718 . 46_543 Ba2 Cu2 2.7718 . 46_544 Ba2 Cu2 2.7718 . 46_545 Ba2 Cu2 2.7718 . 46_546 Ba2 Cu2 2.7718 . 46_547 Ba2 O 3.0911 . 1_554 Ba2 O 3.0911 . . Ba2 O 3.0911 . 1_556 Ba2 O 3.0911 . 1_557 Ba2 O 4.8108 . 19_555 Ba2 O 2.7478 . 37_543 Ba2 O 2.7478 . 37_544 Ba2 O 2.7478 . 37_545 Ba2 O 2.7478 . 37_546 Ba2 O 4.5349 . 7_556 Ba2 O 4.5349 . 7_557 Ba2 O 1.7227 . 25_554 Ba2 O 1.7227 . 25_555 Ba2 O 1.7227 . 25_556 Ba2 O 1.7227 . 25_557 Ba2 O 1.7227 . 25_558 Ba2 O 4.3083 . 43_545 Ba2 O 4.3083 . 43_546 Ba2 O 4.3083 . 43_547 Ba2 O 2.9109 . 20_554 Ba2 O 2.9109 . 20_555 Ba2 O 2.9109 . 20_556 Ba2 O 2.9109 . 20_557 Ba2 O 2.9109 . 38_543 Ba2 O 2.9109 . 38_544 Ba2 O 2.9109 . 38_545 Ba2 O 2.9109 . 38_546 Ba2 O 2.0124 . 8_555 Ba2 O 2.0124 . 8_556 Ba2 O 2.0124 . 8_557 Ba2 O 2.0124 . 8_558 Ba2 O 4.1998 . 26_555 Ba2 O 4.1998 . 26_556 Ba2 O 4.1998 . 26_557 Ba2 O 4.1998 . 44_545 Ba2 O 4.1998 . 44_546 Ba2 O 4.1998 . 44_547 Ba2 O 3.0911 . 4_554 Ba2 O 3.0911 . 4_555 Ba2 O 3.0911 . 4_556 Ba2 O 3.0911 . 4_557 Ba2 O 2.7478 . 22_554 Ba2 O 2.7478 . 22_555 Ba2 O 2.7478 . 22_556 Ba2 O 2.7478 . 22_557 Ba2 O 4.8108 . 40_544 Ba2 O 4.8108 . 40_545 Ba2 O 4.5349 . 10_556 Ba2 O 4.5349 . 10_557 Ba2 O 4.3083 . 28_555 Ba2 O 4.3083 . 28_556 Ba2 O 4.3083 . 28_557 Ba2 O 1.7227 . 46_544 Ba2 O 1.7227 . 46_545 Ba2 O 1.7227 . 46_546 Ba2 O 1.7227 . 46_547 Ba2 O 1.7227 . 46_548 Ba2 Ba1 4.4957 . 1_554 Ba2 Ba1 0.2609(8) . . Ba2 Ba1 4.4957 . 1_556 Ba2 Ba1 3.9277(7) . 7_655 Ba2 Ba1 3.9277(7) . 7_656 Ba2 Ba1 4.0995(4) . 25_555 Ba2 Ba1 4.0995(4) . 25_556 Ba2 Ba1 4.0995(4) . 43_545 Ba2 Ba1 4.0995(4) . 43_546 Ba2 Ba1 4.4916 . 38_544 Ba2 Ba1 0.1762(6) . 38_545 Ba2 Ba1 4.4916 . 38_546 Ba2 Ba1 4.1040(3) . 8_555 Ba2 Ba1 4.1040(3) . 8_556 Ba2 Ba1 3.8521(5) . 26_555 Ba2 Ba1 3.8521(5) . 26_556 Ba2 Ba1 4.1796(5) . 44_555 Ba2 Ba1 4.1796(5) . 44_556 Ba2 Ba1 4.4916 . 22_554 Ba2 Ba1 0.1762(9) . 22_555 Ba2 Ba1 4.4916 . 22_556 Ba2 Ba1 4.1040(6) . 10_555 Ba2 Ba1 4.1040(6) . 10_556 Ba2 Ba1 4.1796(4) . 28_445 Ba2 Ba1 4.1796(4) . 28_446 Ba2 Ba1 3.8521(7) . 46_545 Ba2 Ba1 3.8521(7) . 46_546 Ba2 Ba2 4.4882 . 1_554 Ba2 Ba2 4.4882 . 1_556 Ba2 Ba2 3.7166(7) . 7_655 Ba2 Ba2 3.7166(7) . 7_656 Ba2 Ba2 4.2217(4) . 25_555 Ba2 Ba2 4.2217(4) . 25_556 Ba2 Ba2 4.2217(4) . 43_545 Ba2 Ba2 4.2217(4) . 43_546 Ba2 Ba2 4.5014(1) . 38_544 Ba2 Ba2 0.3444(7) . 38_545 Ba2 Ba2 4.5014(1) . 38_546 Ba2 Ba2 4.2076(4) . 8_555 Ba2 Ba2 4.2076(4) . 8_556 Ba2 Ba2 3.9622(6) . 26_555 Ba2 Ba2 3.9622(6) . 26_556 Ba2 Ba2 3.9622(6) . 44_555 Ba2 Ba2 3.9622(6) . 44_556 Ba2 Ba2 4.5014(1) . 22_554 Ba2 Ba2 0.3444(7) . 22_555 Ba2 Ba2 4.5014(1) . 22_556 Ba2 Ba2 4.2076(6) . 10_555 Ba2 Ba2 4.2076(6) . 10_556 Ba2 Ba2 3.9622(4) . 28_445 Ba2 Ba2 3.9622(4) . 28_446 Ba2 Ba2 3.9622(7) . 46_545 Ba2 Ba2 3.9622(7) . 46_546 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_m_1 _refln_F_meas _refln_F_calc _refln_F_sigma 0 0 0 2 207.6 198.9 2.4 0 0 0 4 138.4 136.5 1.7 0 0 0 6 65.3 65.6 1.0 0 0 0 8 33.2 34.2 1.2 -1 2 0 0 71.6 70.3 0.8 -1 2 0 1 203.9 195.8 2.1 -1 2 0 2 141.8 144.6 1.5 -1 2 0 3 142.2 142.4 1.5 -1 2 0 4 57.2 58.4 0.6 -1 2 0 5 80.1 80.5 0.8 -1 2 0 6 37.4 36.2 0.5 -1 2 0 7 41.4 39.5 0.7 0 3 0 -6 59.6 59.7 0.9 0 3 0 -4 124.1 125.1 1.3 0 3 0 -2 152.8 146.5 1.6 0 3 0 0 313.9 321.1 3.4 0 3 0 2 151.4 146.1 2.7 0 3 0 4 123.3 124.8 2.3 0 3 0 6 59.0 59.7 1.1 -2 4 0 1 237.4 227.8 3.1 -2 4 0 2 141.4 143.8 1.5 -2 4 0 3 135.1 134.9 1.6 -2 4 0 4 54.3 53.5 0.6 -2 4 0 5 77.7 76.0 0.9 -2 4 0 6 36.7 34.6 0.4 -2 4 0 7 38.0 37.9 0.7 -1 5 0 -7 35.7 34.8 1.2 -1 5 0 -6 34.2 32.4 0.9 -1 5 0 -5 68.6 69.0 0.8 -1 5 0 -4 50.5 48.9 0.7 -1 5 0 -3 119.0 118.3 1.5 -1 5 0 -2 119.9 120.9 1.3 -1 5 0 -1 154.0 150.0 1.7 -1 5 0 0 31.4 32.2 0.5 -1 5 0 1 154.1 150.2 1.7 -1 5 0 2 119.6 121.1 1.3 -1 5 0 3 116.7 118.6 1.2 -1 5 0 4 50.9 49.1 0.7 -1 5 0 5 68.2 69.2 0.8 -1 5 0 6 34.4 32.5 0.5 -1 5 0 7 35.1 34.8 1.1 -3 6 0 0 274.9 281.2 4.0 -3 6 0 2 117.2 115.8 1.2 -3 6 0 4 103.6 105.5 1.1 -3 6 0 6 50.5 51.5 0.5 0 6 0 -6 47.2 49.1 0.5 0 6 0 -4 96.5 99.1 2.1 0 6 0 -2 124.8 122.5 2.6 0 6 0 0 296.5 302.3 3.3 0 6 0 2 124.5 122.6 2.2 0 6 0 4 96.6 99.3 1.7 0 6 0 6 47.4 49.2 0.5 -2 7 0 -7 31.0 31.3 1.1 -2 7 0 -6 29.8 28.1 0.4 -2 7 0 -5 61.5 60.8 0.9 -2 7 0 -4 42.2 41.6 0.5 -2 7 0 -3 102.1 100.3 1.7 -2 7 0 -2 100.7 100.2 1.4 -2 7 0 -1 134.2 130.8 1.6 -2 7 0 0 42.1 42.3 0.5 -2 7 0 1 133.5 130.7 1.5 -2 7 0 2 100.6 100.0 1.2 -2 7 0 3 98.8 99.9 1.2 -2 7 0 4 41.1 41.5 0.5 -2 7 0 5 61.2 60.8 0.7 -2 7 0 6 29.5 28.1 1.1 -2 7 0 7 32.7 31.3 0.4 -4 8 0 1 142.5 139.1 2.0 -4 8 0 2 109.4 107.2 1.2 -4 8 0 3 91.0 94.1 1.0 -4 8 0 4 42.4 42.7 0.6 -4 8 0 5 53.7 55.4 1.0 -4 8 0 6 31.6 28.8 0.4 -4 8 0 7 29.4 29.1 0.4 -1 8 0 -7 29.0 27.0 1.1 -1 8 0 -6 28.4 25.9 1.0 -1 8 0 -5 50.4 51.0 0.9 -1 8 0 -4 39.2 38.1 0.4 -1 8 0 -3 81.7 82.2 1.0 -1 8 0 -2 89.4 89.0 1.5 -1 8 0 -1 109.9 108.4 1.3 -1 8 0 0 41.2 42.2 0.5 -1 8 0 1 108.6 108.5 1.2 -1 8 0 2 87.7 89.1 1.0 -1 8 0 3 81.4 82.7 0.9 -1 8 0 4 38.8 38.2 0.7 -1 8 0 5 51.0 51.2 0.8 -1 8 0 6 27.0 26.1 1.2 -1 8 0 7 26.5 27.2 0.6 -3 9 0 -6 37.8 38.8 0.5 -3 9 0 -4 75.1 76.5 1.0 -3 9 0 -2 73.8 73.8 0.8 -3 9 0 -1 9.0 7.7 0.4 -3 9 0 0 205.9 207.6 2.2 -3 9 0 1 10.3 7.7 0.3 -3 9 0 2 74.5 74.1 1.1 -3 9 0 4 75.6 76.9 0.9 -3 9 0 6 36.5 39.0 1.3 0 9 0 -6 33.1 34.0 1.1 0 9 0 -4 63.2 65.9 0.7 0 9 0 -2 60.6 59.2 1.1 0 9 0 0 179.5 181.4 1.9 0 9 0 2 60.4 59.1 1.2 0 9 0 4 64.6 66.0 1.2 0 9 0 6 34.0 34.1 1.1 -5 10 0 0 29.9 29.4 0.4 -5 10 0 1 94.5 91.8 1.2 -5 10 0 2 75.7 76.0 0.8 -5 10 0 3 78.0 76.4 1.0 -5 10 0 4 29.1 27.2 0.4 -5 10 0 5 48.4 47.4 0.6 -5 10 0 6 23.3 20.7 0.9 -2 10 0 -6 21.9 20.8 1.1 -2 10 0 -5 44.3 44.8 0.5 -2 10 0 -4 28.3 28.2 0.4 -2 10 0 -3 75.0 74.1 0.8 -2 10 0 -2 77.1 77.0 1.1 -2 10 0 -1 106.3 102.1 1.5 -2 10 0 0 23.6 24.7 0.5 -2 10 0 1 108.1 102.3 3.0 -2 10 0 2 76.4 77.2 1.2 -2 10 0 3 73.1 74.4 1.0 -2 10 0 4 27.9 28.4 0.6 -2 10 0 5 43.9 45.1 1.2 -2 10 0 6 21.3 20.9 1.5 -4 11 0 -6 25.0 22.5 0.4 -4 11 0 -5 36.2 37.0 0.4 -4 11 0 -4 31.8 30.0 0.4 -4 11 0 -3 55.1 55.9 0.7 -4 11 0 -2 75.8 75.1 1.0 -4 11 0 -1 68.0 68.1 0.7 -4 11 0 0 23.1 23.4 0.3 -4 11 0 1 67.0 68.1 0.8 -4 11 0 2 75.2 75.0 0.8 -4 11 0 3 53.8 55.8 0.7 -4 11 0 4 30.7 29.9 1.1 -4 11 0 5 36.2 36.9 0.6 -4 11 0 6 23.2 22.5 1.3 -1 11 0 -6 20.2 18.6 1.1 -1 11 0 -5 33.6 33.4 1.2 -1 11 0 -4 23.8 23.3 0.3 -1 11 0 -3 51.1 50.5 1.4 -1 11 0 -2 63.7 64.8 0.7 -1 11 0 -1 59.2 59.7 0.7 -1 11 0 0 26.2 25.6 0.3 -1 11 0 1 59.2 59.9 1.0 -1 11 0 2 63.6 65.1 0.7 -1 11 0 3 49.8 51.0 1.0 -1 11 0 4 24.9 23.7 0.3 -1 11 0 5 32.3 33.9 0.5 -1 11 0 6 21.2 18.8 1.3 -6 12 0 0 164.7 165.4 2.0 -6 12 0 2 54.4 53.9 0.7 -6 12 0 4 54.3 56.6 0.7 -6 12 0 6 27.7 28.7 1.6 -3 12 0 -4 49.2 49.8 0.7 -3 12 0 -2 39.4 39.1 0.5 -3 12 0 0 139.1 140.6 1.6 -3 12 0 2 39.0 39.5 0.8 -3 12 0 4 48.6 50.3 0.6 0 12 0 -4 44.0 44.1 0.7 0 12 0 -2 38.2 36.6 0.5 0 12 0 0 134.2 131.2 1.5 0 12 0 2 38.9 37.1 1.8 0 12 0 4 44.1 44.9 2.7 -5 13 0 -5 32.4 32.7 0.4 -5 13 0 -4 15.0 14.4 0.4 -5 13 0 -3 50.1 49.6 0.8 -5 13 0 -2 46.5 45.7 0.5 -5 13 0 -1 64.7 64.0 0.7 -5 13 0 0 46.0 46.1 0.6 -5 13 0 1 64.7 64.2 1.3 -5 13 0 2 45.9 45.8 0.5 -5 13 0 3 50.4 50.1 0.8 -5 13 0 4 15.1 14.6 0.8 -5 13 0 5 32.3 33.1 1.8 -2 13 0 -5 28.5 27.5 1.1 -2 13 0 -4 13.8 13.5 0.5 -2 13 0 -3 40.3 40.3 1.0 -2 13 0 -2 44.3 44.2 0.5 -2 13 0 -1 51.5 50.6 0.6 -2 13 0 0 41.1 39.5 0.5 -2 13 0 1 51.9 50.7 1.3 -2 13 0 2 43.9 44.3 0.8 -2 13 0 3 39.6 40.5 0.5 -2 13 0 4 15.5 13.6 1.1 -2 13 0 5 28.9 27.7 0.8 -7 14 0 0 32.3 30.5 0.5 -7 14 0 1 40.8 41.2 0.4 -7 14 0 2 56.6 55.5 0.6 -7 14 0 3 33.4 33.2 0.4 -7 14 0 4 23.6 23.1 0.8 -7 14 0 5 21.0 22.2 0.4 -4 14 0 -4 22.3 21.8 0.6 -4 14 0 -3 35.4 35.8 0.4 -4 14 0 -2 57.6 56.8 0.7 -4 14 0 -1 48.0 45.9 0.5 -4 14 0 0 22.2 22.1 0.5 -4 14 0 1 48.3 46.1 1.6 -4 14 0 2 57.6 57.0 0.7 -4 14 0 3 35.2 36.2 0.5 -4 14 0 4 22.2 22.0 0.6 -1 14 0 -4 12.5 12.5 0.6 -1 14 0 -3 27.8 27.8 0.4 -1 14 0 -2 38.9 38.3 0.4 -1 14 0 -1 35.0 34.8 0.5 -1 14 0 0 40.6 38.0 0.5 -1 14 0 1 35.2 35.1 0.5 -1 14 0 2 38.5 38.5 0.4 -1 14 0 3 28.4 28.5 1.2 -6 15 0 -4 32.5 32.6 0.5 -6 15 0 -2 18.1 18.1 0.4 -6 15 0 -1 13.0 11.3 0.5 -6 15 0 0 102.0 101.3 1.2 -6 15 0 1 13.2 11.3 0.5 -6 15 0 2 16.7 18.1 0.8 -6 15 0 4 31.6 32.6 1.2 -3 15 0 -2 16.2 14.7 0.4 -3 15 0 0 92.0 92.3 1.1 -3 15 0 2 17.5 15.3 1.3 0 15 0 0 80.3 77.4 1.5 -8 16 0 0 39.7 40.5 1.0 -8 16 0 1 47.7 46.5 0.6 -8 16 0 2 32.2 31.5 0.5 -8 16 0 3 38.0 37.5 0.5 -5 16 0 -3 30.5 29.5 0.9 -5 16 0 -2 29.8 29.9 0.4 -5 16 0 -1 33.5 33.5 0.4 -5 16 0 0 38.9 39.1 0.6 -5 16 0 1 32.6 33.6 0.4 -5 16 0 2 30.2 30.1 0.5 -5 16 0 3 31.1 29.9 0.6 -2 16 0 -2 29.8 29.0 0.6 -2 16 0 -1 32.7 31.5 0.6 -2 16 0 0 35.0 35.3 0.5 -2 16 0 1 33.0 31.8 1.1 -2 16 0 2 29.1 29.3 0.6 -7 17 0 -2 44.1 44.2 0.7 -7 17 0 -1 16.8 15.4 0.4 -7 17 0 0 18.9 19.1 0.8 -7 17 0 1 17.0 15.5 1.7 -7 17 0 2 45.0 44.4 0.9 -4 17 0 -1 16.9 15.5 0.6 -4 17 0 0 25.0 24.9 0.6 -4 17 0 1 16.4 15.7 0.8 -9 18 0 0 67.0 67.6 0.7 -1 1 1 -2 14.9 24.5 0.4 -1 1 1 0 65.6 65.9 1.3 -1 1 1 2 52.7 56.4 1.1 0 2 1 -4 10.3 10.2 0.5 0 2 1 -2 8.6 6.0 0.5 0 2 1 0 122.0 118.6 3.9 0 2 1 4 19.0 17.4 0.4 -2 3 1 -3 17.7 19.5 0.4 -2 3 1 0 118.4 115.8 2.0 -2 3 1 2 28.5 30.2 0.3 -2 3 1 3 11.9 10.1 0.4 -4 4 1 -4 15.0 16.2 0.8 -4 4 1 -2 36.1 37.6 1.0 -4 4 1 0 73.9 72.6 0.8 -4 4 1 2 56.8 56.3 0.9 -1 4 1 -4 12.2 14.2 0.5 -1 4 1 -3 16.0 15.0 0.5 -1 4 1 -2 29.5 31.3 0.3 -1 4 1 -1 39.9 40.7 0.6 -1 4 1 0 89.6 89.4 1.3 -1 4 1 1 37.2 37.2 0.7 -1 4 1 2 46.5 46.5 0.7 -1 4 1 3 18.7 18.2 1.0 -3 5 1 -4 14.7 13.0 0.2 -3 5 1 -3 6.5 5.4 0.3 -3 5 1 -2 14.1 13.6 0.2 -3 5 1 -1 31.3 31.6 0.4 -3 5 1 0 129.2 127.0 1.8 -3 5 1 1 32.1 31.9 0.6 -3 5 1 2 10.4 9.2 1.0 -3 5 1 3 14.2 14.3 0.8 -3 5 1 4 22.4 22.1 0.7 0 5 1 -4 21.7 21.3 0.8 0 5 1 -2 19.2 18.3 0.2 0 5 1 0 110.8 109.7 4.1 0 5 1 2 10.9 9.8 0.4 0 5 1 4 26.2 25.8 0.4 -5 6 1 -3 23.6 24.1 0.5 -5 6 1 -2 9.7 9.8 0.2 -5 6 1 -1 31.4 29.4 0.6 -5 6 1 0 74.3 74.0 0.9 -5 6 1 1 28.9 27.6 0.4 -5 6 1 2 34.5 33.2 0.4 -5 6 1 3 22.0 21.4 0.3 -5 6 1 5 13.6 13.3 0.5 4 -6 1 5 13.4 13.3 0.5 -2 6 1 -4 9.0 9.5 0.3 -2 6 1 -3 29.6 30.2 0.5 -2 6 1 -2 23.6 23.9 1.0 -2 6 1 -1 34.4 32.6 0.6 -2 6 1 0 69.4 71.2 1.2 -2 6 1 1 31.4 29.8 1.5 -2 6 1 2 42.0 42.9 0.9 -2 6 1 3 25.6 25.7 0.4 -2 6 1 5 16.5 15.8 0.4 -7 7 1 -4 17.1 18.0 0.6 -7 7 1 -2 40.5 41.5 2.3 -7 7 1 0 19.4 20.0 0.5 -7 7 1 2 69.4 66.8 1.3 -7 7 1 4 17.0 14.5 1.3 6 -7 1 5 13.1 12.8 0.5 -4 7 1 -4 19.6 19.0 0.3 -4 7 1 -3 13.0 12.8 0.4 -4 7 1 -2 35.8 36.8 0.6 -4 7 1 -1 12.4 12.7 0.2 -4 7 1 0 49.0 50.5 0.8 -4 7 1 1 9.8 11.4 0.8 -4 7 1 2 54.5 55.4 1.0 -1 7 1 -4 16.4 16.4 0.5 -1 7 1 -3 29.6 29.2 0.5 -1 7 1 -2 38.7 38.1 0.6 -1 7 1 -1 34.8 35.9 0.6 -1 7 1 0 27.8 30.0 1.1 -1 7 1 1 32.9 33.3 0.7 -1 7 1 2 60.8 61.2 1.1 -1 7 1 3 24.2 24.4 0.5 -1 7 1 4 12.3 9.6 0.6 -1 7 1 5 16.0 15.2 0.5 -6 8 1 -4 11.8 12.4 0.3 -6 8 1 -3 11.8 12.4 0.6 -6 8 1 -2 11.5 10.6 0.6 -6 8 1 -1 15.9 14.6 1.1 -6 8 1 0 87.9 87.8 1.2 -6 8 1 1 15.7 15.1 0.4 -6 8 1 2 11.2 10.1 0.5 -6 8 1 3 15.5 15.4 1.4 -6 8 1 4 21.0 22.3 1.6 -3 8 1 -4 22.6 22.7 0.3 -3 8 1 -2 29.0 27.9 0.4 -3 8 1 0 111.2 112.9 1.9 -3 8 1 4 29.7 30.4 1.2 0 8 1 -4 27.7 26.7 0.3 0 8 1 -2 30.8 30.9 1.1 0 8 1 0 102.1 102.4 5.9 0 8 1 4 33.8 34.1 3.1 -8 9 1 -3 19.4 18.8 0.5 -8 9 1 -1 24.7 22.9 0.3 -8 9 1 0 70.1 69.4 0.8 -8 9 1 1 22.8 23.0 0.4 -8 9 1 2 19.1 17.8 0.4 -8 9 1 3 19.4 19.4 0.4 -8 9 1 4 13.7 13.9 0.4 -8 9 1 5 15.2 13.7 0.8 7 -9 1 5 16.7 15.7 1.3 -5 9 1 -4 10.2 8.8 0.8 -5 9 1 -3 28.5 29.0 0.6 -5 9 1 -2 16.4 16.7 0.4 -5 9 1 -1 48.5 47.6 0.7 -5 9 1 0 62.5 64.2 1.0 -5 9 1 1 49.5 48.0 0.6 -5 9 1 2 31.1 29.8 0.5 -5 9 1 3 32.7 31.4 0.5 -5 9 1 5 18.2 19.0 1.1 -2 9 1 -4 14.6 14.9 0.3 -2 9 1 -3 32.2 31.4 0.4 -2 9 1 -2 28.5 27.5 0.5 -2 9 1 -1 39.6 39.7 0.9 -2 9 1 0 41.8 43.3 0.9 -2 9 1 1 37.4 37.7 0.9 -2 9 1 2 42.9 43.1 1.2 -2 9 1 3 28.3 28.8 1.2 -2 9 1 5 17.6 18.7 0.4 1 -9 1 5 12.4 11.5 0.7 -10 10 1 -4 13.6 15.4 0.9 -10 10 1 -2 29.5 29.6 1.5 -10 10 1 0 30.6 30.9 0.4 -10 10 1 2 49.7 48.0 1.3 -10 10 1 4 13.3 13.1 0.9 -7 10 1 -4 18.0 18.6 0.7 -7 10 1 -3 12.0 13.2 0.4 -7 10 1 -2 34.4 34.2 0.5 -7 10 1 -1 18.2 18.7 0.4 -7 10 1 0 33.2 32.7 1.0 -7 10 1 1 18.4 18.5 0.4 -7 10 1 2 51.5 51.2 1.1 -7 10 1 3 12.2 13.6 0.5 -7 10 1 4 13.7 12.1 0.6 -4 10 1 -4 17.9 19.2 0.4 -4 10 1 -3 23.1 23.8 0.3 -4 10 1 -2 34.3 35.2 0.4 -4 10 1 -1 26.5 26.8 0.5 -4 10 1 0 31.9 33.6 0.7 -4 10 1 1 25.9 25.8 1.2 -4 10 1 2 52.5 52.2 1.3 -4 10 1 3 20.4 21.8 0.5 -4 10 1 4 14.6 12.7 0.6 -4 10 1 5 14.6 14.1 1.3 -1 10 1 -4 18.2 19.1 0.3 -1 10 1 -3 31.6 32.1 0.5 -1 10 1 -2 33.7 32.4 0.5 -1 10 1 -1 42.9 44.4 1.1 -1 10 1 0 32.4 32.9 1.5 -1 10 1 1 43.2 44.2 0.9 -1 10 1 2 44.4 45.4 1.6 -1 10 1 3 30.8 32.0 1.2 -9 11 1 -4 11.6 9.3 0.6 -9 11 1 -3 11.2 10.3 0.5 -9 11 1 -2 10.6 9.1 0.3 -9 11 1 -1 20.9 21.2 0.5 -9 11 1 0 77.8 76.3 1.4 -9 11 1 1 25.9 24.7 0.3 -9 11 1 3 17.4 18.0 0.7 -9 11 1 4 20.0 20.0 0.4 -6 11 1 -4 18.8 17.6 0.3 -6 11 1 -2 16.9 17.3 0.6 -6 11 1 0 84.4 85.4 1.3 -6 11 1 4 22.7 25.4 1.6 -3 11 1 -4 26.7 25.8 0.4 -3 11 1 -2 30.2 31.2 0.7 -3 11 1 0 98.7 100.5 1.7 -3 11 1 1 11.8 11.8 0.4 -3 11 1 2 14.2 14.4 1.3 -3 11 1 4 31.8 33.2 1.1 0 11 1 -4 27.2 26.1 0.5 0 11 1 -2 29.9 30.0 0.4 0 11 1 0 91.1 92.1 5.0 0 11 1 2 12.0 14.3 0.8 0 11 1 4 33.4 32.8 3.1 -11 12 1 -3 13.9 14.6 0.4 -11 12 1 -1 19.1 18.8 0.3 -11 12 1 0 49.2 49.5 0.6 -11 12 1 1 19.0 19.9 0.8 -11 12 1 2 20.8 19.0 0.7 -11 12 1 3 17.7 17.8 0.7 -8 12 1 -3 22.4 23.4 0.8 -8 12 1 -2 15.1 15.2 0.7 -8 12 1 -1 28.5 27.6 0.6 -8 12 1 0 45.1 45.0 0.7 -8 12 1 1 28.0 27.3 0.7 -8 12 1 2 28.2 27.3 0.6 -8 12 1 3 25.3 24.6 0.8 -5 12 1 -4 12.4 13.1 0.6 -5 12 1 -3 31.6 31.7 0.5 -5 12 1 -2 26.1 26.8 0.5 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