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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 # # # ################################################################################ ############################################################################## # # # This CIF contains the data in a paper accepted for publication in # # Acta Crystallographica Section B. It conforms to the requirements of # # Notes for Authors for Acta Crystallographica Section B, and has been # # peer reviewed under the auspices of the IUCr Commission on Journals. # # # # Full details of the Crystallographic Information File format # # are given in the paper "The Crystallographic Information File (CIF): # # a New Standard Archive File for Crystallography" by S. R. Hall, F. H. # # Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685]. # # # # The current version of the core CIF dictionary is obtainable from # # ftp://ftp.iucr.org/pub/cif_core.dic. # # # # Software is freely available for graphical display of the structure(s) # # in this CIF. For information consult the CIF software page # # http://www.iucr.org/resources/cif/software. # # # # This file may be used for bona fide research purposes within the # # scientific community so long as proper attribution is given to the journal # # article from which it was obtained. # # # ############################################################################## data_global _audit_creation_method 'Jana2006 Version : 18/03/2010' _journal_date_recd_electronic 2011-01-25 _journal_date_accepted 2011-04-12 _journal_name_full 'Acta Crystallographica, Section B' _journal_year 2011 _journal_volume 67 _journal_issue 3 _journal_page_first 205 _journal_page_last 217 _journal_paper_doi https://doi.org/10.1107/S0108768111013814 _journal_paper_category FA _journal_coeditor_code BP5035 _publ_contact_author_name 'van Smaalen, Sander' _publ_contact_author_address ;Laboratory of Crystallography University of Bayreuth Bayreuth Germany ; _publ_contact_author_email smash@uni-bayreuth.de _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_section_title ;Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~ ; loop_ _publ_author_name _publ_author_address 'Li, Liang' ;Laboratory of Crystallography University of Bayreuth 95440 Bayreuth Germany ; 'Wolfel, Alexander' ;Laboratory of Crystallography University of Bayreuth 95440 Bayreuth Germany ; 'Schonleber, Andreas' ;Laboratory of Crystallography University of Bayreuth 95440 Bayreuth Germany ; 'Mondal, Swastik' ;Laboratory of Crystallography University of Bayreuth 95440 Bayreuth Germany ; 'Schreurs, Antoine M. M.' ;Crystal and Structural Chemistry Bijvoet Center for Biomolecular Research Faculty of Science Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands ; 'Kroon-Batenburg, Loes M. J.' ;Crystal and Structural Chemistry Bijvoet Center for Biomolecular Research Faculty of Science Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands ; 'van Smaalen, Sander' ;Laboratory of Crystallography University of Bayreuth 95440 Bayreuth Germany ; data_I _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'Cl4 Rb2 Zn1' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_weight 378.1 _chemical_melting_point ? _space_group_crystal_system orthorhombic _space_group_ssg_name 'Pmcn(00\g)ss0' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1+1/2,-x2+1/2,x3+1/2,x4 3 -x1,x2+1/2,-x3+1/2,-x4+1/2 4 x1+1/2,-x2,-x3,-x4+1/2 5 -x1,-x2,-x3,-x4 6 x1+1/2,x2+1/2,-x3+1/2,-x4 7 x1,-x2+1/2,x3+1/2,x4+1/2 8 -x1+1/2,x2,x3,x4+1/2 _cell_length_a 7.241 _cell_length_b 12.648 _cell_length_c 9.216 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 844.0397 _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _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 0.31600 _exptl_crystal_type_of_structure mod _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_density_diffrn 2.9747 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 688 _exptl_absorpt_coefficient_mu 6.195 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1 _exptl_absorpt_correction_T_max 1 _exptl_special_details ? _diffrn_ambient_temperature 196 _diffrn_radiation_type 'X-ray' _diffrn_radiation_wavelength 0.5 _diffrn_source ? _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD' _diffrn_measurement_device 'four-cycle diffractometer' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 75610 _diffrn_reflns_av_R_equivalents 0.0321 _diffrn_reflns_av_unetI/netI 0.0296 _diffrn_reflns_theta_min 5.57 _diffrn_reflns_theta_max 25.49 _diffrn_reflns_theta_full 20.79 _diffrn_measured_fraction_theta_max 0.8 _diffrn_measured_fraction_theta_full 0.93 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_reduction_process ? _diffrn_reflns_limit_index_m_1_max 5 _diffrn_reflns_limit_index_m_1_min -5 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _reflns_number_total 19956 _reflns_number_gt 6245 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef ? _refine_ls_R_factor_all 0.1030 _refine_ls_R_factor_gt 0.1030 _refine_ls_wR_factor_gt 0.1429 _refine_ls_wR_factor_ref 0.1429 _refine_ls_goodness_of_fit_ref 6.51 _refine_ls_restrained_S_all ? _refine_ls_number_reflns 6245 _refine_ls_number_parameters 140 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_hydrogen_treatment ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_shift/su_max 0.0006 _refine_ls_shift/su_mean 0.0001 _refine_diff_density_max 4.85 _refine_diff_density_min -3.74 _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _reflns_class_code _reflns_class_description _reflns_class_number_total _reflns_class_number_gt _reflns_class_R_factor_gt Main 'Main reflections' 1956 1825 0.0776 Sat1 '1st-order satellites' 3517 2617 0.1227 Sat2 '2nd-order satellites' 3803 1088 0.2388 Sat3 '3rd-order satellites' 3261 392 0.4807 Sat4 '4th-order satellites' 3870 86 0.6203 Sat5 '5th-order satellites' 3549 237 0.3434 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Cl 0.082 0.079 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Rb 0.172 1.654 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Zn 0.312 0.768 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_occupancy _atom_site_site_symmetry_multiplicity _atom_site_disorder_assembly _atom_site_disorder_group Rb Rb1 0.25 0.40659(8) 0.62976(8) 0.0426(3) Uani d . 1 4 . . Rb Rb2 0.25 0.81909(4) 0.48680(6) 0.02495(17) Uani d . 1 4 . . Zn Zn 0.25 0.42189(5) 0.22339(7) 0.01771(18) Uani d . 1 4 . . Cl Cl1 0.25 0.42044(14) -0.01861(17) 0.0395(5) Uani d . 1 4 . . Cl Cl2 0.25 0.58417(12) 0.32210(17) 0.0364(4) Uani d . 1 4 . . Cl Cl3 0.00210(13) 0.33922(10) 0.31206(13) 0.0405(3) Uani d . 1 8 . . 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 _atom_site_aniso_type_symbol Rb1 0.0442(3) 0.0650(6) 0.0188(4) 0 0 -0.0016(3) Rb Rb2 0.0358(3) 0.0214(3) 0.0176(3) 0 0 -0.00062(14) Rb Zn 0.0202(2) 0.0192(3) 0.0137(3) 0 0 -0.00024(17) Zn Cl1 0.0702(10) 0.0351(9) 0.0132(7) 0 0 -0.0037(5) Cl Cl2 0.0663(9) 0.0219(6) 0.0209(7) 0 0 -0.0068(4) Cl Cl3 0.0278(4) 0.0605(7) 0.0331(6) -0.0184(4) -0.0024(3) 0.0146(4) Cl loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_z 1 0.00000 0.31600 2 0.00000 0.63200 3 0.00000 0.94800 4 0.00000 1.26400 5 0.00000 1.58000 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 Rb1x1 Rb1 x 1 Rb1y1 Rb1 y 1 Rb1z1 Rb1 z 1 Rb1x2 Rb1 x 2 Rb1y2 Rb1 y 2 Rb1z2 Rb1 z 2 Rb1x3 Rb1 x 3 Rb1y3 Rb1 y 3 Rb1z3 Rb1 z 3 Rb1x4 Rb1 x 4 Rb1y4 Rb1 y 4 Rb1z4 Rb1 z 4 Rb1x5 Rb1 x 5 Rb1y5 Rb1 y 5 Rb1z5 Rb1 z 5 Rb2x1 Rb2 x 1 Rb2y1 Rb2 y 1 Rb2z1 Rb2 z 1 Rb2x2 Rb2 x 2 Rb2y2 Rb2 y 2 Rb2z2 Rb2 z 2 Rb2x3 Rb2 x 3 Rb2y3 Rb2 y 3 Rb2z3 Rb2 z 3 Rb2x4 Rb2 x 4 Rb2y4 Rb2 y 4 Rb2z4 Rb2 z 4 Rb2x5 Rb2 x 5 Rb2y5 Rb2 y 5 Rb2z5 Rb2 z 5 Znx1 Zn x 1 Zny1 Zn y 1 Znz1 Zn z 1 Znx2 Zn x 2 Zny2 Zn y 2 Znz2 Zn z 2 Znx3 Zn x 3 Zny3 Zn y 3 Znz3 Zn z 3 Znx4 Zn x 4 Zny4 Zn y 4 Znz4 Zn z 4 Znx5 Zn x 5 Zny5 Zn y 5 Znz5 Zn z 5 Cl1x1 Cl1 x 1 Cl1y1 Cl1 y 1 Cl1z1 Cl1 z 1 Cl1x2 Cl1 x 2 Cl1y2 Cl1 y 2 Cl1z2 Cl1 z 2 Cl1x3 Cl1 x 3 Cl1y3 Cl1 y 3 Cl1z3 Cl1 z 3 Cl1x4 Cl1 x 4 Cl1y4 Cl1 y 4 Cl1z4 Cl1 z 4 Cl1x5 Cl1 x 5 Cl1y5 Cl1 y 5 Cl1z5 Cl1 z 5 Cl2x1 Cl2 x 1 Cl2y1 Cl2 y 1 Cl2z1 Cl2 z 1 Cl2x2 Cl2 x 2 Cl2y2 Cl2 y 2 Cl2z2 Cl2 z 2 Cl2x3 Cl2 x 3 Cl2y3 Cl2 y 3 Cl2z3 Cl2 z 3 Cl2x4 Cl2 x 4 Cl2y4 Cl2 y 4 Cl2z4 Cl2 z 4 Cl2x5 Cl2 x 5 Cl2y5 Cl2 y 5 Cl2z5 Cl2 z 5 Cl3x1 Cl3 x 1 Cl3y1 Cl3 y 1 Cl3z1 Cl3 z 1 Cl3x2 Cl3 x 2 Cl3y2 Cl3 y 2 Cl3z2 Cl3 z 2 Cl3x3 Cl3 x 3 Cl3y3 Cl3 y 3 Cl3z3 Cl3 z 3 Cl3x4 Cl3 x 4 Cl3y4 Cl3 y 4 Cl3z4 Cl3 z 4 Cl3x5 Cl3 x 5 Cl3y5 Cl3 y 5 Cl3z5 Cl3 z 5 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Rb1x1 -0.01215(10) 0.01224(10) Rb1y1 0 0 Rb1z1 0 0 Rb1x2 0 0 Rb1y2 -0.00242(8) -0.00043(9) Rb1z2 0.00039(10) 0.00082(10) Rb1x3 0.00035(15) -0.00291(14) Rb1y3 0 0 Rb1z3 0 0 Rb1x4 0 0 Rb1y4 0.0020(3) -0.0038(3) Rb1z4 -0.0009(4) 0.0014(4) Rb1x5 -0.00038(18) 0.00068(18) Rb1y5 0 0 Rb1z5 0 0 Rb2x1 -0.00140(7) 0.01713(9) Rb2y1 0 0 Rb2z1 0 0 Rb2x2 0 0 Rb2y2 0.00033(6) 0.00027(6) Rb2z2 -0.00015(8) -0.00055(8) Rb2x3 -0.00097(13) -0.00103(13) Rb2y3 0 0 Rb2z3 0 0 Rb2x4 0 0 Rb2y4 -0.0004(2) 0.0007(2) Rb2z4 0.0023(4) -0.0016(4) Rb2x5 0.00070(19) 0.00161(14) Rb2y5 0 0 Rb2z5 0 0 Znx1 0.00329(7) 0.00998(8) Zny1 0 0 Znz1 0 0 Znx2 0 0 Zny2 -0.00022(7) -0.00030(7) Znz2 0.00085(9) -0.00009(9) Znx3 -0.00099(13) -0.00025(13) Zny3 0 0 Znz3 0 0 Znx4 0 0 Zny4 -0.0002(3) -0.0005(3) Znz4 0.0011(5) -0.0002(4) Znx5 0.00011(17) -0.00108(16) Zny5 0 0 Znz5 0 0 Cl1x1 0.0066(3) 0.0425(4) Cl1y1 0 0 Cl1z1 0 0 Cl1x2 0 0 Cl1y2 -0.00209(19) -0.00043(18) Cl1z2 -0.0001(2) -0.0008(2) Cl1x3 0.0024(5) 0.0040(5) Cl1y3 0 0 Cl1z3 0 0 Cl1x4 0 0 Cl1y4 -0.0021(6) 0.0030(6) Cl1z4 -0.0011(7) -0.0026(8) Cl1x5 -0.0014(7) 0.0011(7) Cl1y5 0 0 Cl1z5 0 0 Cl2x1 0.0548(4) 0.0076(3) Cl2y1 0 0 Cl2z1 0 0 Cl2x2 0 0 Cl2y2 -0.00098(16) 0.00027(17) Cl2z2 0.0006(3) -0.0009(2) Cl2x3 -0.0124(5) -0.0038(5) Cl2y3 0 0 Cl2z3 0 0 Cl2x4 0 0 Cl2y4 0.0011(5) -0.0001(5) Cl2z4 -0.0015(7) 0.0015(6) Cl2x5 0.0033(8) 0.0010(7) Cl2y5 0 0 Cl2z5 0 0 Cl3x1 -0.01939(17) 0.00554(16) Cl3y1 0.02635(15) 0.00002(13) Cl3z1 0.01334(15) -0.01094(15) Cl3x2 0.00126(18) 0.00065(18) Cl3y2 -0.00057(16) -0.00026(15) Cl3z2 0.00035(17) 0.00125(17) Cl3x3 0.0033(2) -0.0023(2) Cl3y3 -0.00535(19) 0.0008(2) Cl3z3 -0.0032(3) 0.0003(3) Cl3x4 -0.0030(4) 0.0001(4) Cl3y4 0.0006(3) 0.0002(4) Cl3z4 0.0025(5) -0.0014(5) Cl3x5 -0.0010(3) -0.0014(3) Cl3y5 0.0025(3) 0.0000(3) Cl3z5 0.0001(4) 0.0009(4) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_publ_flag _geom_bond_distance_max _geom_bond_distance_min _geom_bond_distance_av _geom_bond_site_ssg_symmetry_1 _geom_bond_site_ssg_symmetry_2 Rb1 Rb1 yes 5.114(6) 4.849(6) 4.941(6) . 4_4665 Rb1 Rb1 yes 5.114(6) 4.849(6) 4.941(6) . 4_5665 Rb1 Rb2 yes 4.841(6) 4.723(6) 4.783(6) . 2_5655 Rb1 Rb2 yes 5.345(5) 5.059(5) 5.181(5) . 3_5465 Rb1 Rb2 yes 5.345(5) 5.059(5) 5.179(5) . 3_6465 Rb1 Rb2 yes 4.798(5) 4.616(5) 4.735(5) . 4_4665 Rb1 Rb2 yes 4.798(5) 4.616(5) 4.735(5) . 4_5665 Rb1 Zn yes 3.770(7) 3.732(7) 3.751(7) . . Rb1 Cl1 yes 3.275(10) 3.236(10) 3.254(10) . 1_5565 Rb1 Cl2 yes 3.712(10) 3.551(10) 3.629(10) . . Rb1 Cl2 yes 3.929(12) 3.365(12) 3.652(12) . 4_4665 Rb1 Cl2 yes 3.929(12) 3.365(12) 3.649(12) . 4_5665 Rb1 Cl3 yes 3.766(14) 3.369(13) 3.548(13) . . Rb1 Cl3 yes 4.386(15) 3.522(15) 3.965(15) . 2_5555 Rb1 Cl3 yes 4.136(15) 3.328(15) 3.738(15) . 4_5665 Rb1 Cl3 yes 4.136(15) 3.328(15) 3.735(15) . 5_5665 Rb1 Cl3 yes 4.386(15) 3.522(15) 3.967(15) . 7_5555 Rb1 Cl3 yes 3.766(14) 3.369(13) 3.549(13) . 8_5555 Rb2 Rb2 yes 4.983(6) 4.880(6) 4.930(6) . 2_5645 Rb2 Rb2 yes 4.983(6) 4.880(6) 4.931(6) . 2_5655 Rb2 Zn yes 3.951(6) 3.927(6) 3.938(6) . 2_5655 Rb2 Cl1 yes 3.372(11) 3.244(11) 3.309(11) . 2_5655 Rb2 Cl1 yes 4.271(11) 3.452(11) 3.857(11) . 3_5555 Rb2 Cl1 yes 4.271(11) 3.452(11) 3.851(11) . 3_6555 Rb2 Cl2 yes 3.373(9) 3.320(9) 3.348(9) . . Rb2 Cl2 yes 3.347(9) 3.313(9) 3.333(9) . 2_5655 Rb2 Cl3 yes 3.377(13) 3.287(13) 3.330(13) . 3_5555 Rb2 Cl3 yes 3.360(13) 3.215(13) 3.297(14) . 4_5665 Rb2 Cl3 yes 3.360(13) 3.215(13) 3.297(14) . 5_5665 Rb2 Cl3 yes 3.377(13) 3.287(13) 3.330(13) . 6_5555 Zn Cl1 yes 2.256(11) 2.221(11) 2.238(11) . . Zn Cl2 yes 2.276(10) 2.252(10) 2.263(10) . . Zn Cl3 yes 2.277(11) 2.216(13) 2.251(12) . . Zn Cl3 yes 2.277(11) 2.216(13) 2.251(12) . 8_5555 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_publ_flag _geom_angle_max _geom_angle_min _geom_angle_av _geom_angle_site_ssg_symmetry_1 _geom_angle_site_ssg_symmetry_2 _geom_angle_site_ssg_symmetry_3 Rb1 Rb1 Rb1 yes 95.19(11) 92.50(10) 94.23(11) 4_4665 . 4_5665 Rb1 Rb1 Rb2 yes 91.62(10) 87.37(10) 89.20(10) 4_4665 . 2_5655 Rb1 Rb1 Rb2 yes 87.19(8) 83.89(8) 85.44(8) 4_4665 . 3_5465 Rb1 Rb1 Rb2 yes 162.44(13) 159.24(13) 160.84(13) 4_4665 . 3_6465 Rb1 Rb1 Rb2 yes 69.65(8) 65.78(8) 67.56(8) 4_4665 . 4_4665 Rb1 Rb1 Rb2 yes 138.42(13) 136.84(13) 137.61(13) 4_4665 . 4_5665 Rb1 Rb1 Zn yes 60.66(9) 58.68(9) 59.46(9) 4_4665 . . Rb1 Rb1 Cl1 yes 122.4(2) 111.0(2) 117.2(2) 4_4665 . 1_5565 Rb1 Rb1 Cl2 yes 52.92(19) 41.56(18) 47.48(19) 4_4665 . . Rb1 Rb1 Cl2 yes 48.38(14) 45.15(16) 46.92(15) 4_4665 . 4_4665 Rb1 Rb1 Cl2 yes 142.41(18) 137.2(2) 140.41(19) 4_4665 . 4_5665 Rb1 Rb1 Cl3 yes 55.3(2) 43.2(2) 48.8(2) 4_4665 . . Rb1 Rb1 Cl3 yes 157.9(2) 153.5(2) 155.7(2) 4_4665 . 2_5555 Rb1 Rb1 Cl3 yes 92.3(2) 88.8(2) 90.9(2) 4_4665 . 4_5665 Rb1 Rb1 Cl3 yes 48.04(19) 43.6(2) 45.5(2) 4_4665 . 5_5665 Rb1 Rb1 Cl3 yes 107.52(19) 102.64(16) 104.45(17) 4_4665 . 7_5555 Rb1 Rb1 Cl3 yes 95.9(2) 94.0(2) 95.0(2) 4_4665 . 8_5555 Rb1 Rb1 Rb2 yes 91.62(10) 87.37(10) 89.23(10) 4_5665 . 2_5655 Rb1 Rb1 Rb2 yes 162.44(13) 159.24(13) 160.85(13) 4_5665 . 3_5465 Rb1 Rb1 Rb2 yes 87.19(8) 83.89(8) 85.46(8) 4_5665 . 3_6465 Rb1 Rb1 Rb2 yes 138.42(13) 136.84(13) 137.61(13) 4_5665 . 4_4665 Rb1 Rb1 Rb2 yes 69.65(8) 65.78(8) 67.55(8) 4_5665 . 4_5665 Rb1 Rb1 Zn yes 60.66(9) 58.68(9) 59.47(9) 4_5665 . . Rb1 Rb1 Cl1 yes 122.4(2) 111.0(2) 117.1(2) 4_5665 . 1_5565 Rb1 Rb1 Cl2 yes 52.92(19) 41.56(18) 47.40(19) 4_5665 . . Rb1 Rb1 Cl2 yes 142.41(18) 137.2(2) 140.42(19) 4_5665 . 4_4665 Rb1 Rb1 Cl2 yes 48.38(14) 45.15(16) 46.92(15) 4_5665 . 4_5665 Rb1 Rb1 Cl3 yes 95.9(2) 94.0(2) 95.0(2) 4_5665 . . Rb1 Rb1 Cl3 yes 107.52(19) 102.64(16) 104.46(17) 4_5665 . 2_5555 Rb1 Rb1 Cl3 yes 48.04(19) 43.6(2) 45.6(2) 4_5665 . 4_5665 Rb1 Rb1 Cl3 yes 92.3(2) 88.8(2) 90.9(2) 4_5665 . 5_5665 Rb1 Rb1 Cl3 yes 157.9(2) 153.5(2) 155.7(2) 4_5665 . 7_5555 Rb1 Rb1 Cl3 yes 55.3(2) 43.2(2) 48.9(2) 4_5665 . 8_5555 Rb2 Rb1 Rb2 yes 72.97(9) 70.01(8) 71.64(8) 2_5655 . 3_5465 Rb2 Rb1 Rb2 yes 72.97(9) 70.01(8) 71.66(8) 2_5655 . 3_6465 Rb2 Rb1 Rb2 yes 128.83(10) 124.31(9) 126.39(10) 2_5655 . 4_4665 Rb2 Rb1 Rb2 yes 128.83(10) 124.31(9) 126.43(10) 2_5655 . 4_5665 Rb2 Rb1 Zn yes 132.50(14) 128.49(14) 130.52(14) 2_5655 . . Rb2 Rb1 Cl1 yes 44.2(2) 43.3(2) 43.7(2) 2_5655 . 1_5565 Rb2 Rb1 Cl2 yes 96.83(18) 93.77(17) 95.15(17) 2_5655 . . Rb2 Rb1 Cl2 yes 86.83(16) 80.80(17) 83.83(16) 2_5655 . 4_4665 Rb2 Rb1 Cl2 yes 86.83(16) 80.80(17) 83.86(16) 2_5655 . 4_5665 Rb2 Rb1 Cl3 yes 146.8(2) 130.7(3) 137.9(2) 2_5655 . . Rb2 Rb1 Cl3 yes 108.7(3) 103.2(2) 106.1(2) 2_5655 . 2_5555 Rb2 Rb1 Cl3 yes 44.6(2) 42.56(18) 43.7(2) 2_5655 . 4_5665 Rb2 Rb1 Cl3 yes 44.6(2) 42.56(18) 43.7(2) 2_5655 . 5_5665 Rb2 Rb1 Cl3 yes 108.7(3) 103.2(2) 106.0(2) 2_5655 . 7_5555 Rb2 Rb1 Cl3 yes 146.8(2) 130.7(3) 138.1(2) 2_5655 . 8_5555 Rb2 Rb1 Rb2 yes 89.44(9) 87.86(9) 88.67(9) 3_5465 . 3_6465 Rb2 Rb1 Rb2 yes 60.93(8) 57.92(7) 59.43(7) 3_5465 . 4_4665 Rb2 Rb1 Rb2 yes 126.67(12) 121.32(11) 124.08(11) 3_5465 . 4_5665 Rb2 Rb1 Zn yes 136.04(10) 131.75(10) 133.80(10) 3_5465 . . Rb2 Rb1 Cl1 yes 54.2(2) 42.4(2) 48.0(2) 3_5465 . 1_5565 Rb2 Rb1 Cl2 yes 138.4(2) 125.69(19) 131.91(19) 3_5465 . . Rb2 Rb1 Cl2 yes 41.27(13) 37.54(14) 39.66(14) 3_5465 . 4_4665 Rb2 Rb1 Cl2 yes 129.89(17) 125.30(17) 128.08(18) 3_5465 . 4_5665 Rb2 Rb1 Cl3 yes 101.6(2) 96.2(2) 99.0(2) 3_5465 . . Rb2 Rb1 Cl3 yes 83.99(18) 80.1(2) 81.85(18) 3_5465 . 2_5555 Rb2 Rb1 Cl3 yes 117.5(2) 113.6(2) 115.3(2) 3_5465 . 4_5665 Rb2 Rb1 Cl3 yes 76.6(2) 73.57(19) 75.2(2) 3_5465 . 5_5665 Rb2 Rb1 Cl3 yes 41.3(2) 37.4(2) 39.3(2) 3_5465 . 7_5555 Rb2 Rb1 Cl3 yes 157.0(3) 142.5(2) 150.2(3) 3_5465 . 8_5555 Rb2 Rb1 Rb2 yes 126.67(12) 121.32(11) 124.06(11) 3_6465 . 4_4665 Rb2 Rb1 Rb2 yes 60.93(8) 57.92(7) 59.44(7) 3_6465 . 4_5665 Rb2 Rb1 Zn yes 136.04(10) 131.75(10) 133.83(10) 3_6465 . . Rb2 Rb1 Cl1 yes 54.2(2) 42.4(2) 47.9(2) 3_6465 . 1_5565 Rb2 Rb1 Cl2 yes 138.4(2) 125.69(19) 131.85(19) 3_6465 . . Rb2 Rb1 Cl2 yes 129.89(17) 125.30(17) 128.06(18) 3_6465 . 4_4665 Rb2 Rb1 Cl2 yes 41.27(13) 37.54(14) 39.68(14) 3_6465 . 4_5665 Rb2 Rb1 Cl3 yes 157.0(3) 142.5(2) 150.3(3) 3_6465 . . Rb2 Rb1 Cl3 yes 41.3(2) 37.4(2) 39.4(2) 3_6465 . 2_5555 Rb2 Rb1 Cl3 yes 76.6(2) 73.57(19) 75.2(2) 3_6465 . 4_5665 Rb2 Rb1 Cl3 yes 117.5(2) 113.6(2) 115.4(2) 3_6465 . 5_5665 Rb2 Rb1 Cl3 yes 83.99(18) 80.1(2) 81.84(18) 3_6465 . 7_5555 Rb2 Rb1 Cl3 yes 101.6(2) 96.2(2) 99.1(2) 3_6465 . 8_5555 Rb2 Rb1 Rb2 yes 100.90(11) 98.52(10) 99.76(10) 4_4665 . 4_5665 Rb2 Rb1 Zn yes 79.50(11) 77.88(10) 78.71(10) 4_4665 . . Rb2 Rb1 Cl1 yes 111.0(2) 99.8(2) 105.0(2) 4_4665 . 1_5565 Rb2 Rb1 Cl2 yes 106.99(19) 95.77(19) 101.33(19) 4_4665 . . Rb2 Rb1 Cl2 yes 45.65(14) 43.82(15) 44.63(15) 4_4665 . 4_4665 Rb2 Rb1 Cl2 yes 146.11(18) 141.36(19) 143.65(19) 4_4665 . 4_5665 Rb2 Rb1 Cl3 yes 45.3(2) 42.6(2) 44.1(2) 4_4665 . . Rb2 Rb1 Cl3 yes 91.2(2) 85.4(2) 88.2(2) 4_4665 . 2_5555 Rb2 Rb1 Cl3 yes 159.6(2) 154.6(2) 157.6(2) 4_4665 . 4_5665 Rb2 Rb1 Cl3 yes 101.69(19) 99.07(17) 100.25(19) 4_4665 . 5_5665 Rb2 Rb1 Cl3 yes 45.8(2) 42.17(17) 43.76(19) 4_4665 . 7_5555 Rb2 Rb1 Cl3 yes 98.9(2) 86.9(2) 93.2(2) 4_4665 . 8_5555 Rb2 Rb1 Zn yes 79.50(11) 77.88(10) 78.72(10) 4_5665 . . Rb2 Rb1 Cl1 yes 111.0(2) 99.8(2) 104.9(2) 4_5665 . 1_5565 Rb2 Rb1 Cl2 yes 106.99(19) 95.77(19) 101.26(19) 4_5665 . . Rb2 Rb1 Cl2 yes 146.11(18) 141.36(19) 143.65(19) 4_5665 . 4_4665 Rb2 Rb1 Cl2 yes 45.65(14) 43.82(15) 44.63(15) 4_5665 . 4_5665 Rb2 Rb1 Cl3 yes 98.9(2) 86.9(2) 93.3(2) 4_5665 . . Rb2 Rb1 Cl3 yes 45.8(2) 42.17(17) 43.76(19) 4_5665 . 2_5555 Rb2 Rb1 Cl3 yes 101.69(19) 99.07(17) 100.27(19) 4_5665 . 4_5665 Rb2 Rb1 Cl3 yes 159.6(2) 154.6(2) 157.6(2) 4_5665 . 5_5665 Rb2 Rb1 Cl3 yes 91.2(2) 85.4(2) 88.2(2) 4_5665 . 7_5555 Rb2 Rb1 Cl3 yes 45.3(2) 42.6(2) 44.1(2) 4_5665 . 8_5555 Zn Rb1 Cl1 yes 174.9(2) 169.4(2) 172.5(2) . . 1_5565 Zn Rb1 Cl2 yes 36.16(16) 35.05(15) 35.66(16) . . . Zn Rb1 Cl2 yes 98.09(16) 95.82(17) 96.89(16) . . 4_4665 Zn Rb1 Cl2 yes 98.09(16) 95.82(17) 96.90(16) . . 4_5665 Zn Rb1 Cl3 yes 36.6(2) 34.4(2) 35.8(2) . . . Zn Rb1 Cl3 yes 120.9(3) 115.7(2) 117.6(2) . . 2_5555 Zn Rb1 Cl3 yes 99.1(2) 92.8(3) 95.7(2) . . 4_5665 Zn Rb1 Cl3 yes 99.1(2) 92.8(3) 95.6(2) . . 5_5665 Zn Rb1 Cl3 yes 120.9(3) 115.7(2) 117.7(2) . . 7_5555 Zn Rb1 Cl3 yes 36.6(2) 34.4(2) 35.7(2) . . 8_5555 Cl1 Rb1 Cl2 yes 139.1(3) 135.5(3) 137.6(3) 1_5565 . . Cl1 Rb1 Cl2 yes 89.4(2) 76.1(2) 82.9(2) 1_5565 . 4_4665 Cl1 Rb1 Cl2 yes 89.4(2) 76.1(2) 82.9(2) 1_5565 . 4_5665 Cl1 Rb1 Cl3 yes 152.5(3) 142.7(3) 147.0(3) 1_5565 . . Cl1 Rb1 Cl3 yes 70.0(3) 65.3(3) 67.6(3) 1_5565 . 2_5555 Cl1 Rb1 Cl3 yes 83.5(3) 73.9(3) 79.1(3) 1_5565 . 4_5665 Cl1 Rb1 Cl3 yes 83.5(3) 73.9(3) 79.2(3) 1_5565 . 5_5665 Cl1 Rb1 Cl3 yes 70.0(3) 65.3(3) 67.6(3) 1_5565 . 7_5555 Cl1 Rb1 Cl3 yes 152.5(3) 142.7(3) 146.9(3) 1_5565 . 8_5555 Cl2 Rb1 Cl2 yes 101.0(2) 87.3(2) 94.4(2) . . 4_4665 Cl2 Rb1 Cl2 yes 101.0(2) 87.3(2) 94.3(2) . . 4_5665 Cl2 Rb1 Cl3 yes 62.3(3) 58.7(3) 60.4(3) . . . Cl2 Rb1 Cl3 yes 151.6(3) 138.6(3) 145.0(3) . . 2_5555 Cl2 Rb1 Cl3 yes 68.0(3) 62.1(3) 65.1(3) . . 4_5665 Cl2 Rb1 Cl3 yes 68.0(3) 62.1(3) 65.1(3) . . 5_5665 Cl2 Rb1 Cl3 yes 151.6(3) 138.6(3) 145.0(3) . . 7_5555 Cl2 Rb1 Cl3 yes 62.3(3) 58.7(3) 60.4(3) . . 8_5555 Cl2 Rb1 Cl2 yes 166.4(2) 164.8(2) 165.4(2) 4_4665 . 4_5665 Cl2 Rb1 Cl3 yes 70.7(2) 62.7(2) 66.7(2) 4_4665 . . Cl2 Rb1 Cl3 yes 117.1(2) 112.0(2) 114.9(2) 4_4665 . 2_5555 Cl2 Rb1 Cl3 yes 118.9(3) 113.9(3) 116.1(2) 4_4665 . 4_5665 Cl2 Rb1 Cl3 yes 59.9(2) 56.3(2) 58.0(2) 4_4665 . 5_5665 Cl2 Rb1 Cl3 yes 63.5(2) 59.1(2) 61.6(2) 4_4665 . 7_5555 Cl2 Rb1 Cl3 yes 130.8(3) 122.9(2) 127.6(2) 4_4665 . 8_5555 Cl2 Rb1 Cl3 yes 130.8(3) 122.9(2) 127.7(2) 4_5665 . . Cl2 Rb1 Cl3 yes 63.5(2) 59.1(2) 61.7(2) 4_5665 . 2_5555 Cl2 Rb1 Cl3 yes 59.9(2) 56.3(2) 58.1(2) 4_5665 . 4_5665 Cl2 Rb1 Cl3 yes 118.9(3) 113.9(3) 116.1(2) 4_5665 . 5_5665 Cl2 Rb1 Cl3 yes 117.1(2) 112.0(2) 114.9(2) 4_5665 . 7_5555 Cl2 Rb1 Cl3 yes 70.7(2) 62.7(2) 66.8(2) 4_5665 . 8_5555 Cl3 Rb1 Cl3 yes 118.0(3) 107.3(3) 113.2(3) . . 2_5555 Cl3 Rb1 Cl3 yes 127.9(3) 121.7(3) 124.8(3) . . 4_5665 Cl3 Rb1 Cl3 yes 103.0(3) 86.9(3) 94.3(3) . . 5_5665 Cl3 Rb1 Cl3 yes 90.8(3) 82.8(3) 86.2(3) . . 7_5555 Cl3 Rb1 Cl3 yes 62.4(3) 60.3(3) 61.4(3) . . 8_5555 Cl3 Rb1 Cl3 yes 115.4(3) 111.6(2) 113.2(3) 2_5555 . 4_5665 Cl3 Rb1 Cl3 yes 150.2(3) 142.5(3) 146.7(3) 2_5555 . 5_5665 Cl3 Rb1 Cl3 yes 54.6(2) 53.2(2) 53.8(2) 2_5555 . 7_5555 Cl3 Rb1 Cl3 yes 90.8(3) 82.8(3) 86.1(3) 2_5555 . 8_5555 Cl3 Rb1 Cl3 yes 59.3(3) 57.6(2) 58.5(3) 4_5665 . 5_5665 Cl3 Rb1 Cl3 yes 150.2(3) 142.5(3) 146.6(3) 4_5665 . 7_5555 Cl3 Rb1 Cl3 yes 103.0(3) 86.9(3) 94.4(3) 4_5665 . 8_5555 Cl3 Rb1 Cl3 yes 115.4(3) 111.6(2) 113.2(3) 5_5665 . 7_5555 Cl3 Rb1 Cl3 yes 127.9(3) 121.7(3) 124.8(3) 5_5665 . 8_5555 Cl3 Rb1 Cl3 yes 118.0(3) 107.3(3) 113.1(3) 7_5555 . 8_5555 Rb1 Rb2 Rb1 yes 111.14(10) 106.00(9) 108.31(9) 2_5645 . 3_5565 Rb1 Rb2 Rb1 yes 111.14(10) 106.00(9) 108.32(9) 2_5645 . 3_6565 Rb1 Rb2 Rb1 yes 108.70(10) 103.49(10) 106.33(10) 2_5645 . 4_4665 Rb1 Rb2 Rb1 yes 108.70(10) 103.49(10) 106.33(10) 2_5645 . 4_5665 Rb1 Rb2 Rb2 yes 68.10(9) 66.58(9) 67.26(9) 2_5645 . 2_5645 Rb1 Rb2 Rb2 yes 154.55(11) 153.35(11) 154.10(11) 2_5645 . 2_5655 Rb1 Rb2 Zn yes 78.07(11) 76.02(11) 77.11(11) 2_5645 . 2_5655 Rb1 Rb2 Cl1 yes 43.56(18) 42.07(18) 42.77(18) 2_5645 . 2_5655 Rb1 Rb2 Cl1 yes 80.88(16) 77.42(15) 79.03(17) 2_5645 . 3_5555 Rb1 Rb2 Cl1 yes 80.88(16) 77.42(15) 79.02(17) 2_5645 . 3_6555 Rb1 Rb2 Cl2 yes 110.58(18) 108.31(18) 109.31(18) 2_5645 . . Rb1 Rb2 Cl2 yes 112.66(18) 111.06(18) 111.91(18) 2_5645 . 2_5655 Rb1 Rb2 Cl3 yes 57.7(3) 44.6(3) 51.2(3) 2_5645 . 3_5555 Rb1 Rb2 Cl3 yes 152.7(2) 139.0(2) 146.0(2) 2_5645 . 4_5665 Rb1 Rb2 Cl3 yes 152.7(2) 139.0(2) 146.0(2) 2_5645 . 5_5665 Rb1 Rb2 Cl3 yes 57.7(3) 44.6(3) 51.1(3) 2_5645 . 6_5555 Rb1 Rb2 Rb1 yes 89.43(9) 87.86(9) 88.67(9) 3_5565 . 3_6565 Rb1 Rb2 Rb1 yes 77.28(8) 74.37(8) 75.47(8) 3_5565 . 4_4665 Rb1 Rb2 Rb1 yes 146.67(12) 143.08(12) 144.91(12) 3_5565 . 4_5665 Rb1 Rb2 Rb2 yes 138.84(9) 132.02(8) 135.54(8) 3_5565 . 2_5645 Rb1 Rb2 Rb2 yes 57.59(8) 54.04(7) 55.77(7) 3_5565 . 2_5655 Rb1 Rb2 Zn yes 58.64(9) 54.20(8) 56.19(8) 3_5565 . 2_5655 Rb1 Rb2 Cl1 yes 84.3(2) 72.86(19) 78.2(2) 3_5565 . 2_5655 Rb1 Rb2 Cl1 yes 40.12(16) 37.55(14) 38.73(15) 3_5565 . 3_5555 Rb1 Rb2 Cl1 yes 124.08(18) 120.15(19) 122.15(18) 3_5565 . 3_6555 Rb1 Rb2 Cl2 yes 125.5(2) 115.0(2) 120.1(2) 3_5565 . . Rb1 Rb2 Cl2 yes 49.9(2) 39.3(2) 44.5(2) 3_5565 . 2_5655 Rb1 Rb2 Cl3 yes 104.6(2) 93.0(2) 99.4(2) 3_5565 . 3_5555 Rb1 Rb2 Cl3 yes 99.7(2) 95.6(2) 97.7(2) 3_5565 . 4_5665 Rb1 Rb2 Cl3 yes 56.9(2) 43.1(3) 49.9(3) 3_5565 . 5_5665 Rb1 Rb2 Cl3 yes 166.6(3) 151.5(2) 159.2(3) 3_5565 . 6_5555 Rb1 Rb2 Rb1 yes 146.67(12) 143.08(12) 144.90(12) 3_6565 . 4_4665 Rb1 Rb2 Rb1 yes 77.28(8) 74.37(8) 75.50(8) 3_6565 . 4_5665 Rb1 Rb2 Rb2 yes 138.84(9) 132.02(8) 135.58(8) 3_6565 . 2_5645 Rb1 Rb2 Rb2 yes 57.59(8) 54.04(7) 55.79(7) 3_6565 . 2_5655 Rb1 Rb2 Zn yes 58.64(9) 54.20(8) 56.21(8) 3_6565 . 2_5655 Rb1 Rb2 Cl1 yes 84.3(2) 72.86(19) 78.3(2) 3_6565 . 2_5655 Rb1 Rb2 Cl1 yes 124.08(18) 120.15(19) 122.15(18) 3_6565 . 3_5555 Rb1 Rb2 Cl1 yes 40.12(16) 37.55(14) 38.74(15) 3_6565 . 3_6555 Rb1 Rb2 Cl2 yes 125.5(2) 115.0(2) 120.0(2) 3_6565 . . Rb1 Rb2 Cl2 yes 49.9(2) 39.3(2) 44.5(2) 3_6565 . 2_5655 Rb1 Rb2 Cl3 yes 166.6(3) 151.5(2) 159.3(3) 3_6565 . 3_5555 Rb1 Rb2 Cl3 yes 56.9(2) 43.1(3) 49.9(3) 3_6565 . 4_5665 Rb1 Rb2 Cl3 yes 99.7(2) 95.6(2) 97.7(2) 3_6565 . 5_5665 Rb1 Rb2 Cl3 yes 104.6(2) 93.0(2) 99.5(2) 3_6565 . 6_5555 Rb1 Rb2 Rb1 yes 100.89(10) 98.52(10) 99.77(10) 4_4665 . 4_5665 Rb1 Rb2 Rb2 yes 66.89(8) 62.81(8) 64.77(8) 4_4665 . 2_5645 Rb1 Rb2 Rb2 yes 92.37(9) 87.58(9) 89.89(9) 4_4665 . 2_5655 Rb1 Rb2 Zn yes 131.98(10) 125.92(10) 128.85(10) 4_4665 . 2_5655 Rb1 Rb2 Cl1 yes 134.2(2) 119.3(2) 126.8(2) 4_4665 . 2_5655 Rb1 Rb2 Cl1 yes 62.99(18) 57.51(16) 60.05(17) 4_4665 . 3_5555 Rb1 Rb2 Cl1 yes 162.9(2) 156.83(17) 159.64(19) 4_4665 . 3_6555 Rb1 Rb2 Cl2 yes 56.3(2) 44.6(2) 50.2(2) 4_4665 . . Rb1 Rb2 Cl2 yes 120.6(2) 109.9(2) 115.6(2) 4_4665 . 2_5655 Rb1 Rb2 Cl3 yes 62.6(2) 48.0(3) 55.6(2) 4_4665 . 3_5555 Rb1 Rb2 Cl3 yes 107.2(3) 94.6(2) 100.7(2) 4_4665 . 4_5665 Rb1 Rb2 Cl3 yes 51.5(2) 45.6(2) 48.5(2) 4_4665 . 5_5665 Rb1 Rb2 Cl3 yes 108.4(2) 103.4(2) 106.1(2) 4_4665 . 6_5555 Rb1 Rb2 Rb2 yes 66.89(8) 62.81(8) 64.79(8) 4_5665 . 2_5645 Rb1 Rb2 Rb2 yes 92.37(9) 87.58(9) 89.92(9) 4_5665 . 2_5655 Rb1 Rb2 Zn yes 131.98(10) 125.92(10) 128.90(10) 4_5665 . 2_5655 Rb1 Rb2 Cl1 yes 134.2(2) 119.3(2) 126.9(2) 4_5665 . 2_5655 Rb1 Rb2 Cl1 yes 162.9(2) 156.83(17) 159.61(19) 4_5665 . 3_5555 Rb1 Rb2 Cl1 yes 62.99(18) 57.51(16) 60.08(17) 4_5665 . 3_6555 Rb1 Rb2 Cl2 yes 56.3(2) 44.6(2) 50.2(2) 4_5665 . . Rb1 Rb2 Cl2 yes 120.6(2) 109.9(2) 115.7(2) 4_5665 . 2_5655 Rb1 Rb2 Cl3 yes 108.4(2) 103.4(2) 106.1(2) 4_5665 . 3_5555 Rb1 Rb2 Cl3 yes 51.5(2) 45.6(2) 48.5(2) 4_5665 . 4_5665 Rb1 Rb2 Cl3 yes 107.2(3) 94.6(2) 100.7(2) 4_5665 . 5_5665 Rb1 Rb2 Cl3 yes 62.6(2) 48.0(3) 55.7(2) 4_5665 . 6_5555 Rb2 Rb2 Rb2 yes 138.50(9) 138.22(10) 138.34(10) 2_5645 . 2_5655 Rb2 Rb2 Zn yes 145.07(12) 143.43(12) 144.27(12) 2_5645 . 2_5655 Rb2 Rb2 Cl1 yes 110.5(2) 108.74(19) 109.67(19) 2_5645 . 2_5655 Rb2 Rb2 Cl1 yes 104.81(18) 97.36(15) 100.94(16) 2_5645 . 3_5555 Rb2 Rb2 Cl1 yes 104.81(18) 97.36(15) 100.98(16) 2_5645 . 3_6555 Rb2 Rb2 Cl2 yes 42.91(16) 41.59(16) 42.32(16) 2_5645 . . Rb2 Rb2 Cl2 yes 178.73(19) 173.9(2) 177.0(2) 2_5645 . 2_5655 Rb2 Rb2 Cl3 yes 42.4(2) 40.6(2) 41.7(2) 2_5645 . 3_5555 Rb2 Rb2 Cl3 yes 113.3(3) 103.9(3) 108.0(3) 2_5645 . 4_5665 Rb2 Rb2 Cl3 yes 113.3(3) 103.9(3) 108.0(3) 2_5645 . 5_5665 Rb2 Rb2 Cl3 yes 42.4(2) 40.6(2) 41.7(2) 2_5645 . 6_5555 Rb2 Rb2 Zn yes 77.68(10) 76.49(10) 77.08(10) 2_5655 . 2_5655 Rb2 Rb2 Cl1 yes 112.20(19) 110.73(19) 111.35(19) 2_5655 . 2_5655 Rb2 Rb2 Cl1 yes 95.70(18) 90.19(15) 92.66(16) 2_5655 . 3_5555 Rb2 Rb2 Cl1 yes 95.70(18) 90.19(15) 92.71(16) 2_5655 . 3_6555 Rb2 Rb2 Cl2 yes 97.40(17) 95.51(17) 96.34(17) 2_5655 . . Rb2 Rb2 Cl2 yes 43.15(16) 41.70(16) 42.54(16) 2_5655 . 2_5655 Rb2 Rb2 Cl3 yes 153.1(2) 133.6(2) 143.4(2) 2_5655 . 3_5555 Rb2 Rb2 Cl3 yes 43.0(2) 41.2(2) 42.2(2) 2_5655 . 4_5665 Rb2 Rb2 Cl3 yes 43.0(2) 41.2(2) 42.2(2) 2_5655 . 5_5665 Rb2 Rb2 Cl3 yes 153.1(2) 133.6(2) 143.6(2) 2_5655 . 6_5555 Zn Rb2 Cl1 yes 35.04(19) 34.20(18) 34.61(18) 2_5655 . 2_5655 Zn Rb2 Cl1 yes 73.31(17) 69.68(15) 71.26(17) 2_5655 . 3_5555 Zn Rb2 Cl1 yes 73.31(17) 69.68(15) 71.27(17) 2_5655 . 3_6555 Zn Rb2 Cl2 yes 174.8(2) 169.8(2) 172.3(2) 2_5655 . . Zn Rb2 Cl2 yes 35.29(17) 34.81(17) 35.03(17) 2_5655 . 2_5655 Zn Rb2 Cl3 yes 117.9(3) 108.7(3) 113.2(3) 2_5655 . 3_5555 Zn Rb2 Cl3 yes 107.4(3) 95.1(3) 101.1(3) 2_5655 . 4_5665 Zn Rb2 Cl3 yes 107.4(3) 95.1(3) 101.2(3) 2_5655 . 5_5665 Zn Rb2 Cl3 yes 117.9(3) 108.7(3) 113.1(3) 2_5655 . 6_5555 Cl1 Rb2 Cl1 yes 76.2(3) 65.1(2) 70.5(3) 2_5655 . 3_5555 Cl1 Rb2 Cl1 yes 76.2(3) 65.1(2) 70.6(3) 2_5655 . 3_6555 Cl1 Rb2 Cl2 yes 153.4(3) 150.2(3) 151.5(3) 2_5655 . . Cl1 Rb2 Cl2 yes 70.2(2) 69.0(2) 69.5(2) 2_5655 . 2_5655 Cl1 Rb2 Cl3 yes 91.2(3) 79.1(3) 84.7(3) 2_5655 . 3_5555 Cl1 Rb2 Cl3 yes 138.1(3) 117.3(3) 127.9(3) 2_5655 . 4_5665 Cl1 Rb2 Cl3 yes 138.1(3) 117.3(3) 127.9(3) 2_5655 . 5_5665 Cl1 Rb2 Cl3 yes 91.2(3) 79.1(3) 84.6(3) 2_5655 . 6_5555 Cl1 Rb2 Cl1 yes 142.2(2) 137.8(2) 139.8(2) 3_5555 . 3_6555 Cl1 Rb2 Cl2 yes 118.0(3) 101.9(2) 109.5(3) 3_5555 . . Cl1 Rb2 Cl2 yes 85.4(2) 73.2(2) 78.8(2) 3_5555 . 2_5655 Cl1 Rb2 Cl3 yes 65.5(3) 56.0(2) 61.4(2) 3_5555 . 3_5555 Cl1 Rb2 Cl3 yes 137.4(3) 129.4(3) 132.8(3) 3_5555 . 4_5665 Cl1 Rb2 Cl3 yes 75.9(3) 61.6(3) 68.8(3) 3_5555 . 5_5665 Cl1 Rb2 Cl3 yes 130.7(3) 116.7(2) 123.6(3) 3_5555 . 6_5555 Cl1 Rb2 Cl2 yes 118.0(3) 101.9(2) 109.4(3) 3_6555 . . Cl1 Rb2 Cl2 yes 85.4(2) 73.2(2) 78.8(2) 3_6555 . 2_5655 Cl1 Rb2 Cl3 yes 130.7(3) 116.7(2) 123.7(3) 3_6555 . 3_5555 Cl1 Rb2 Cl3 yes 75.9(3) 61.6(3) 68.8(3) 3_6555 . 4_5665 Cl1 Rb2 Cl3 yes 137.4(3) 129.4(3) 132.8(3) 3_6555 . 5_5665 Cl1 Rb2 Cl3 yes 65.5(3) 56.0(2) 61.4(2) 3_6555 . 6_5555 Cl2 Rb2 Cl2 yes 139.6(2) 137.5(2) 138.7(2) . . 2_5655 Cl2 Rb2 Cl3 yes 74.1(3) 70.0(3) 72.2(3) . . 3_5555 Cl2 Rb2 Cl3 yes 78.9(3) 69.4(3) 73.4(3) . . 4_5665 Cl2 Rb2 Cl3 yes 78.9(3) 69.4(3) 73.3(3) . . 5_5665 Cl2 Rb2 Cl3 yes 74.1(3) 70.0(3) 72.2(3) . . 6_5555 Cl2 Rb2 Cl3 yes 142.0(3) 132.8(3) 137.6(3) 2_5655 . 3_5555 Cl2 Rb2 Cl3 yes 74.9(3) 69.9(3) 72.8(3) 2_5655 . 4_5665 Cl2 Rb2 Cl3 yes 74.9(3) 69.9(3) 72.8(3) 2_5655 . 5_5665 Cl2 Rb2 Cl3 yes 142.0(3) 132.8(3) 137.7(3) 2_5655 . 6_5555 Cl3 Rb2 Cl3 yes 150.3(4) 138.0(4) 144.8(4) 3_5555 . 4_5665 Cl3 Rb2 Cl3 yes 111.0(3) 91.8(3) 101.8(3) 3_5555 . 5_5665 Cl3 Rb2 Cl3 yes 68.0(3) 65.9(3) 67.3(3) 3_5555 . 6_5555 Cl3 Rb2 Cl3 yes 68.7(3) 66.8(3) 68.0(3) 4_5665 . 5_5665 Cl3 Rb2 Cl3 yes 111.0(3) 91.8(3) 101.9(3) 4_5665 . 6_5555 Cl3 Rb2 Cl3 yes 150.3(4) 138.0(4) 144.8(4) 5_5665 . 6_5555 Rb1 Zn Rb2 yes 128.25(15) 124.97(15) 126.58(15) . . 2_5645 Rb1 Zn Cl1 yes 176.8(3) 172.3(3) 173.9(3) . . . Rb1 Zn Cl2 yes 71.1(3) 67.5(3) 69.3(3) . . . Rb1 Zn Cl3 yes 73.4(4) 62.5(4) 67.2(4) . . . Rb1 Zn Cl3 yes 73.4(4) 62.5(4) 67.3(4) . . 8_5555 Rb2 Zn Cl1 yes 58.7(3) 55.5(3) 57.2(3) 2_5645 . . Rb2 Zn Cl2 yes 58.3(2) 57.1(2) 57.7(2) 2_5645 . . Rb2 Zn Cl3 yes 135.0(3) 118.5(4) 126.1(4) 2_5645 . . Rb2 Zn Cl3 yes 135.0(3) 118.5(4) 126.2(4) 2_5645 . 8_5555 Cl1 Zn Cl2 yes 116.0(4) 112.6(4) 114.5(4) . . . Cl1 Zn Cl3 yes 115.0(5) 108.7(5) 110.9(5) . . . Cl1 Zn Cl3 yes 115.0(5) 108.7(5) 110.9(5) . . 8_5555 Cl2 Zn Cl3 yes 108.1(5) 104.2(5) 106.3(5) . . . Cl2 Zn Cl3 yes 108.1(5) 104.2(5) 106.4(5) . . 8_5555 Cl3 Zn Cl3 yes 108.9(5) 106.3(5) 107.4(5) . . 8_5555 Rb1 Cl1 Rb2 yes 94.1(3) 93.1(3) 93.6(3) 1_5545 . 2_5645 Rb1 Cl1 Rb2 yes 99.4(3) 87.2(2) 93.3(3) 1_5545 . 3_5455 Rb1 Cl1 Rb2 yes 99.4(3) 87.2(2) 93.3(3) 1_5545 . 3_6455 Rb1 Cl1 Zn yes 179.3(5) 168.4(5) 171.7(5) 1_5545 . . Rb2 Cl1 Rb2 yes 119.6(3) 100.1(3) 109.5(3) 2_5645 . 3_5455 Rb2 Cl1 Rb2 yes 119.6(3) 100.1(3) 109.5(3) 2_5645 . 3_6455 Rb2 Cl1 Zn yes 89.7(3) 86.9(3) 88.2(3) 2_5645 . . Rb2 Cl1 Rb2 yes 142.2(3) 137.8(3) 139.9(3) 3_5455 . 3_6455 Rb2 Cl1 Zn yes 91.2(3) 79.5(3) 85.7(3) 3_5455 . . Rb2 Cl1 Zn yes 91.2(3) 79.5(3) 85.7(3) 3_6455 . . Rb1 Cl2 Rb1 yes 93.2(3) 79.9(2) 85.6(2) . . 4_4665 Rb1 Cl2 Rb1 yes 93.2(3) 79.9(2) 85.7(2) . . 4_5665 Rb1 Cl2 Rb2 yes 101.7(2) 99.8(2) 100.8(2) . . . Rb1 Cl2 Rb2 yes 162.5(3) 159.9(3) 161.1(3) . . 2_5645 Rb1 Cl2 Zn yes 76.4(3) 73.8(3) 75.1(3) . . . Rb1 Cl2 Rb1 yes 166.4(3) 164.8(3) 165.4(3) 4_4665 . 4_5665 Rb1 Cl2 Rb2 yes 91.0(3) 78.2(2) 85.1(2) 4_4665 . . Rb1 Cl2 Rb2 yes 102.8(3) 88.9(2) 95.8(3) 4_4665 . 2_5645 Rb1 Cl2 Zn yes 105.1(4) 85.7(3) 94.4(3) 4_4665 . . Rb1 Cl2 Rb2 yes 91.0(3) 78.2(2) 85.2(2) 4_5665 . . Rb1 Cl2 Rb2 yes 102.8(3) 88.9(2) 95.9(3) 4_5665 . 2_5645 Rb1 Cl2 Zn yes 105.1(4) 85.7(3) 94.6(3) 4_5665 . . Rb2 Cl2 Rb2 yes 96.7(2) 94.0(2) 95.1(2) . . 2_5645 Rb2 Cl2 Zn yes 175.8(4) 164.2(5) 168.2(5) . . . Rb2 Cl2 Zn yes 88.0(3) 86.6(3) 87.2(3) 2_5645 . . Rb1 Cl3 Rb1 yes 115.7(3) 101.4(3) 108.0(3) . . 2_5545 Rb1 Cl3 Rb1 yes 92.1(4) 79.2(3) 85.7(3) . . 4_4665 Rb1 Cl3 Rb2 yes 178.3(5) 158.7(5) 168.8(5) . . 3_5455 Rb1 Cl3 Rb2 yes 90.3(3) 84.3(3) 87.4(3) . . 4_4665 Rb1 Cl3 Zn yes 81.1(3) 72.2(3) 77.0(3) . . . Rb1 Cl3 Rb1 yes 166.5(4) 160.1(4) 163.0(4) 2_5545 . 4_4665 Rb1 Cl3 Rb2 yes 87.5(3) 74.4(3) 80.5(3) 2_5545 . 3_5455 Rb1 Cl3 Rb2 yes 98.2(4) 84.2(3) 90.7(4) 2_5545 . 4_4665 Rb1 Cl3 Zn yes 92.1(4) 72.3(3) 81.2(4) 2_5545 . . Rb1 Cl3 Rb2 yes 91.0(3) 78.9(3) 85.2(3) 4_4665 . 3_5455 Rb1 Cl3 Rb2 yes 107.6(3) 92.3(3) 100.0(3) 4_4665 . 4_4665 Rb1 Cl3 Zn yes 100.3(5) 84.5(4) 92.4(5) 4_4665 . . Rb2 Cl3 Rb2 yes 97.4(3) 94.6(3) 96.2(3) 3_5455 . 4_4665 Rb2 Cl3 Zn yes 106.5(5) 93.5(4) 99.3(5) 3_5455 . . Rb2 Cl3 Zn yes 168.0(5) 148.9(5) 157.0(6) 4_4665 . . data_II _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'Cl4 Rb2 Zn1' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_weight 378.1 _chemical_melting_point ? _space_group_crystal_system orthorhombic _space_group_ssg_name 'Pmcn(00\g)ss0' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1+1/2,-x2+1/2,x3+1/2,x4 3 -x1,x2+1/2,-x3+1/2,-x4+1/2 4 x1+1/2,-x2,-x3,-x4+1/2 5 -x1,-x2,-x3,-x4 6 x1+1/2,x2+1/2,-x3+1/2,-x4 7 x1,-x2+1/2,x3+1/2,x4+1/2 8 -x1+1/2,x2,x3,x4+1/2 _cell_length_a 7.241 _cell_length_b 12.648 _cell_length_c 9.216 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 844.0397 _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _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 0.31600 _exptl_crystal_type_of_structure mod _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_density_diffrn 2.9747 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 688 _exptl_absorpt_coefficient_mu 6.195 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1 _exptl_absorpt_correction_T_max 1 _exptl_special_details ? _diffrn_ambient_temperature 196 _diffrn_radiation_type 'X-ray' _diffrn_radiation_wavelength 0.5 _diffrn_source ? _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD' _diffrn_measurement_device 'four-cycle diffractometer' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 75610 _diffrn_reflns_av_R_equivalents 0.0321 _diffrn_reflns_av_unetI/netI 0.0296 _diffrn_reflns_theta_min 5.57 _diffrn_reflns_theta_max 25.49 _diffrn_reflns_theta_full 20.79 _diffrn_measured_fraction_theta_max 0.8 _diffrn_measured_fraction_theta_full 0.93 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_reduction_process ? _diffrn_reflns_limit_index_m_1_max 5 _diffrn_reflns_limit_index_m_1_min -5 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _reflns_number_total 19956 _reflns_number_gt 6245 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef ? _refine_ls_R_factor_all 0.0563 _refine_ls_R_factor_gt 0.0563 _refine_ls_wR_factor_gt 0.0705 _refine_ls_wR_factor_ref 0.0705 _refine_ls_goodness_of_fit_ref 3.28 _refine_ls_restrained_S_all ? _refine_ls_number_reflns 6245 _refine_ls_number_parameters 389 _refine_ls_number_restraints 0 _refine_ls_number_constraints 140 _refine_ls_hydrogen_treatment ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_shift/su_max 0.0010 _refine_ls_shift/su_mean 0.0001 _refine_diff_density_max 1.71 _refine_diff_density_min -1.78 _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _reflns_class_code _reflns_class_description _reflns_class_number_total _reflns_class_number_gt _reflns_class_R_factor_gt Main 'Main reflections' 1956 1825 0.0493 Sat1 '1st-order satellites' 3517 2617 0.0561 Sat2 '2nd-order satellites' 3803 1088 0.0969 Sat3 '3rd-order satellites' 3261 392 0.2003 Sat4 '4th-order satellites' 3870 86 0.2987 Sat5 '5th-order satellites' 3549 237 0.1619 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Cl 0.082 0.079 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Rb 0.172 1.654 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Zn 0.312 0.768 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_occupancy _atom_site_site_symmetry_multiplicity _atom_site_disorder_assembly _atom_site_disorder_group Rb Rb1 0.25 0.40659(4) 0.62969(4) 0.0408(3) Uani d . 1 4 . . Rb Rb2 0.25 0.81921(2) 0.48673(3) 0.0232(2) Uani d . 1 4 . . Zn Zn 0.25 0.42179(3) 0.22344(3) 0.01827(10) Uani d . 1 4 . . Cl Cl1 0.25 0.41962(8) -0.01837(9) 0.0426(3) Uani d . 1 4 . . Cl Cl2 0.25 0.58430(6) 0.32169(9) 0.0400(3) Uani d . 1 4 . . Cl Cl3 0.00171(7) 0.33945(6) 0.31245(8) 0.0426(4) Uani d . 1 8 . . 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 _atom_site_aniso_type_symbol Rb1 0.0416(4) 0.0634(7) 0.0175(5) 0 0 -0.0017(3) Rb Rb2 0.0341(4) 0.0202(4) 0.0154(4) 0 0 -0.00080(19) Rb Zn 0.02085(15) 0.01969(19) 0.01426(18) 0 0 -0.00021(8) Zn Cl1 0.0766(6) 0.0373(5) 0.0139(4) 0 0 -0.0043(2) Cl Cl2 0.0750(7) 0.0232(4) 0.0217(4) 0 0 -0.0068(2) Cl Cl3 0.0273(5) 0.0680(10) 0.0325(8) -0.0224(5) -0.0053(5) 0.0181(6) Cl loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_z 1 0.00000 0.31600 2 0.00000 0.63200 3 0.00000 0.94800 4 0.00000 1.26400 5 0.00000 1.58000 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 Rb1x1 Rb1 x 1 Rb1y1 Rb1 y 1 Rb1z1 Rb1 z 1 Rb1x2 Rb1 x 2 Rb1y2 Rb1 y 2 Rb1z2 Rb1 z 2 Rb1x3 Rb1 x 3 Rb1y3 Rb1 y 3 Rb1z3 Rb1 z 3 Rb1x4 Rb1 x 4 Rb1y4 Rb1 y 4 Rb1z4 Rb1 z 4 Rb1x5 Rb1 x 5 Rb1y5 Rb1 y 5 Rb1z5 Rb1 z 5 Rb2x1 Rb2 x 1 Rb2y1 Rb2 y 1 Rb2z1 Rb2 z 1 Rb2x2 Rb2 x 2 Rb2y2 Rb2 y 2 Rb2z2 Rb2 z 2 Rb2x3 Rb2 x 3 Rb2y3 Rb2 y 3 Rb2z3 Rb2 z 3 Rb2x4 Rb2 x 4 Rb2y4 Rb2 y 4 Rb2z4 Rb2 z 4 Rb2x5 Rb2 x 5 Rb2y5 Rb2 y 5 Rb2z5 Rb2 z 5 Znx1 Zn x 1 Zny1 Zn y 1 Znz1 Zn z 1 Znx2 Zn x 2 Zny2 Zn y 2 Znz2 Zn z 2 Znx3 Zn x 3 Zny3 Zn y 3 Znz3 Zn z 3 Znx4 Zn x 4 Zny4 Zn y 4 Znz4 Zn z 4 Znx5 Zn x 5 Zny5 Zn y 5 Znz5 Zn z 5 Cl1x1 Cl1 x 1 Cl1y1 Cl1 y 1 Cl1z1 Cl1 z 1 Cl1x2 Cl1 x 2 Cl1y2 Cl1 y 2 Cl1z2 Cl1 z 2 Cl1x3 Cl1 x 3 Cl1y3 Cl1 y 3 Cl1z3 Cl1 z 3 Cl1x4 Cl1 x 4 Cl1y4 Cl1 y 4 Cl1z4 Cl1 z 4 Cl1x5 Cl1 x 5 Cl1y5 Cl1 y 5 Cl1z5 Cl1 z 5 Cl2x1 Cl2 x 1 Cl2y1 Cl2 y 1 Cl2z1 Cl2 z 1 Cl2x2 Cl2 x 2 Cl2y2 Cl2 y 2 Cl2z2 Cl2 z 2 Cl2x3 Cl2 x 3 Cl2y3 Cl2 y 3 Cl2z3 Cl2 z 3 Cl2x4 Cl2 x 4 Cl2y4 Cl2 y 4 Cl2z4 Cl2 z 4 Cl2x5 Cl2 x 5 Cl2y5 Cl2 y 5 Cl2z5 Cl2 z 5 Cl3x1 Cl3 x 1 Cl3y1 Cl3 y 1 Cl3z1 Cl3 z 1 Cl3x2 Cl3 x 2 Cl3y2 Cl3 y 2 Cl3z2 Cl3 z 2 Cl3x3 Cl3 x 3 Cl3y3 Cl3 y 3 Cl3z3 Cl3 z 3 Cl3x4 Cl3 x 4 Cl3y4 Cl3 y 4 Cl3z4 Cl3 z 4 Cl3x5 Cl3 x 5 Cl3y5 Cl3 y 5 Cl3z5 Cl3 z 5 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Rb1x1 -0.01100(9) 0.01111(8) Rb1y1 0 0 Rb1z1 0 0 Rb1x2 0 0 Rb1y2 -0.00171(8) -0.00021(9) Rb1z2 -0.00010(10) 0.00094(6) Rb1x3 0.00191(16) -0.00175(16) Rb1y3 0 0 Rb1z3 0 0 Rb1x4 0 0 Rb1y4 0.00103(15) -0.00081(16) Rb1z4 -0.0012(2) 0.0000(2) Rb1x5 -0.00094(9) 0.00101(9) Rb1y5 0 0 Rb1z5 0 0 Rb2x1 -0.00149(6) 0.01574(8) Rb2y1 0 0 Rb2z1 0 0 Rb2x2 0 0 Rb2y2 0.00010(3) 0.00023(3) Rb2z2 0.00016(5) -0.00058(4) Rb2x3 -0.00049(8) -0.00148(15) Rb2y3 0 0 Rb2z3 0 0 Rb2x4 0 0 Rb2y4 0.00027(11) -0.00008(12) Rb2z4 -0.00059(18) 0.00040(18) Rb2x5 0.00029(10) 0.00085(15) Rb2y5 0 0 Rb2z5 0 0 Znx1 0.00308(6) 0.00958(7) Zny1 0 0 Znz1 0 0 Znx2 0 0 Zny2 -0.00026(6) -0.00029(3) Znz2 0.00082(5) -0.00011(5) Znx3 -0.00130(8) -0.00021(16) Zny3 0 0 Znz3 0 0 Znx4 0 0 Zny4 0.00021(16) -0.00042(13) Znz4 -0.0004(2) 0.0003(2) Znx5 0.00012(8) -0.00089(8) Zny5 0 0 Znz5 0 0 Cl1x1 0.0058(3) 0.0377(3) Cl1y1 0 0 Cl1z1 0 0 Cl1x2 0 0 Cl1y2 -0.00143(19) -0.00015(10) Cl1z2 0.0001(2) -0.00060(15) Cl1x3 -0.0016(5) -0.0008(5) Cl1y3 0 0 Cl1z3 0 0 Cl1x4 0 0 Cl1y4 -0.0002(3) 0.0008(4) Cl1z4 0.0002(4) -0.0007(4) Cl1x5 -0.0006(7) 0.0017(7) Cl1y5 0 0 Cl1z5 0 0 Cl2x1 0.0510(4) 0.0077(3) Cl2y1 0 0 Cl2z1 0 0 Cl2x2 0 0 Cl2y2 -0.00068(9) -0.00004(11) Cl2z2 0.00040(19) -0.00077(12) Cl2x3 -0.0056(5) -0.0011(4) Cl2y3 0 0 Cl2z3 0 0 Cl2x4 0 0 Cl2y4 0.0007(3) 0.0000(3) Cl2z4 0.0001(4) 0.0002(3) Cl2x5 -0.0007(8) 0.0009(8) Cl2y5 0 0 Cl2z5 0 0 Cl3x1 -0.01811(15) 0.00501(15) Cl3y1 0.02427(14) 0.00067(12) Cl3z1 0.01227(12) -0.01022(10) Cl3x2 0.00081(17) 0.00005(18) Cl3y2 -0.00028(13) -0.00031(14) Cl3z2 0.00012(17) 0.00100(15) Cl3x3 0.00184(14) -0.0004(3) Cl3y3 -0.00335(18) -0.0004(3) Cl3z3 -0.0001(3) -0.0018(3) Cl3x4 -0.0012(2) 0.0002(2) Cl3y4 0.00079(19) -0.0006(2) Cl3z4 0.0010(3) -0.0005(3) Cl3x5 -0.0008(3) -0.0010(3) Cl3y5 0.0019(3) 0.0004(4) Cl3z5 0.0001(3) 0.0010(4) 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 Rb1U111 Rb1 U11 1 Rb1U221 Rb1 U22 1 Rb1U331 Rb1 U33 1 Rb1U121 Rb1 U12 1 Rb1U131 Rb1 U13 1 Rb1U231 Rb1 U23 1 Rb1U112 Rb1 U11 2 Rb1U222 Rb1 U22 2 Rb1U332 Rb1 U33 2 Rb1U122 Rb1 U12 2 Rb1U132 Rb1 U13 2 Rb1U232 Rb1 U23 2 Rb2U111 Rb2 U11 1 Rb2U221 Rb2 U22 1 Rb2U331 Rb2 U33 1 Rb2U121 Rb2 U12 1 Rb2U131 Rb2 U13 1 Rb2U231 Rb2 U23 1 Rb2U112 Rb2 U11 2 Rb2U222 Rb2 U22 2 Rb2U332 Rb2 U33 2 Rb2U122 Rb2 U12 2 Rb2U132 Rb2 U13 2 Rb2U232 Rb2 U23 2 ZnU111 Zn U11 1 ZnU221 Zn U22 1 ZnU331 Zn U33 1 ZnU121 Zn U12 1 ZnU131 Zn U13 1 ZnU231 Zn U23 1 ZnU112 Zn U11 2 ZnU222 Zn U22 2 ZnU332 Zn U33 2 ZnU122 Zn U12 2 ZnU132 Zn U13 2 ZnU232 Zn U23 2 Cl1U111 Cl1 U11 1 Cl1U221 Cl1 U22 1 Cl1U331 Cl1 U33 1 Cl1U121 Cl1 U12 1 Cl1U131 Cl1 U13 1 Cl1U231 Cl1 U23 1 Cl1U112 Cl1 U11 2 Cl1U222 Cl1 U22 2 Cl1U332 Cl1 U33 2 Cl1U122 Cl1 U12 2 Cl1U132 Cl1 U13 2 Cl1U232 Cl1 U23 2 Cl2U111 Cl2 U11 1 Cl2U221 Cl2 U22 1 Cl2U331 Cl2 U33 1 Cl2U121 Cl2 U12 1 Cl2U131 Cl2 U13 1 Cl2U231 Cl2 U23 1 Cl2U112 Cl2 U11 2 Cl2U222 Cl2 U22 2 Cl2U332 Cl2 U33 2 Cl2U122 Cl2 U12 2 Cl2U132 Cl2 U13 2 Cl2U232 Cl2 U23 2 Cl3U111 Cl3 U11 1 Cl3U221 Cl3 U22 1 Cl3U331 Cl3 U33 1 Cl3U121 Cl3 U12 1 Cl3U131 Cl3 U13 1 Cl3U231 Cl3 U23 1 Cl3U112 Cl3 U11 2 Cl3U222 Cl3 U22 2 Cl3U332 Cl3 U33 2 Cl3U122 Cl3 U12 2 Cl3U132 Cl3 U13 2 Cl3U232 Cl3 U23 2 loop_ _atom_site_U_Fourier_param_id _atom_site_U_Fourier_param_cos _atom_site_U_Fourier_param_sin Rb1U111 0 0 Rb1U221 0 0 Rb1U331 0 0 Rb1U121 0.00648(15) 0.00444(16) Rb1U131 -0.00389(12) -0.00101(12) Rb1U231 0 0 Rb1U112 -0.0011(2) 0.0012(2) Rb1U222 0.0002(3) 0.0047(4) Rb1U332 0.0001(2) 0.0005(3) Rb1U122 0 0 Rb1U132 0 0 Rb1U232 0.0003(2) -0.00112(18) Rb2U111 0 0 Rb2U221 0 0 Rb2U331 0 0 Rb2U121 0.00113(9) -0.00382(10) Rb2U131 -0.00045(9) 0.00294(10) Rb2U231 0 0 Rb2U112 0.00312(16) 0.00003(17) Rb2U222 0.0005(2) 0.0000(2) Rb2U332 0.00050(19) -0.00016(19) Rb2U122 0 0 Rb2U132 0 0 Rb2U232 -0.00009(13) -0.00020(13) ZnU111 0 0 ZnU221 0 0 ZnU331 0 0 ZnU121 -0.00016(10) 0.00076(10) ZnU131 -0.00015(9) -0.00079(9) ZnU231 0 0 ZnU112 0.00048(16) -0.00001(16) ZnU222 0.0004(2) -0.0002(2) ZnU332 -0.0001(2) -0.0001(2) ZnU122 0 0 ZnU132 0 0 ZnU232 -0.00031(15) 0.00005(17) Cl1U111 0 0 Cl1U221 0 0 Cl1U331 0 0 Cl1U121 -0.0018(5) 0.0175(5) Cl1U131 -0.0028(4) -0.0016(4) Cl1U231 0 0 Cl1U112 0.0152(9) -0.0047(8) Cl1U222 -0.0007(7) -0.0007(7) Cl1U332 0.0002(6) 0.0000(6) Cl1U122 0 0 Cl1U132 0 0 Cl1U232 -0.0008(4) -0.0005(4) Cl2U111 0 0 Cl2U221 0 0 Cl2U331 0 0 Cl2U121 -0.0076(4) 0.0010(5) Cl2U131 0.0019(4) -0.0026(5) Cl2U231 0 0 Cl2U112 -0.0218(10) -0.0005(8) Cl2U222 0.0006(6) 0.0000(6) Cl2U332 0.0005(7) 0.0002(6) Cl2U122 0 0 Cl2U132 0 0 Cl2U232 -0.0008(4) 0.0001(4) Cl3U111 -0.0049(2) -0.0008(3) Cl3U221 -0.0045(5) -0.0049(6) Cl3U331 -0.0072(4) 0.0085(4) Cl3U121 0.0058(3) 0.0031(3) Cl3U131 0.0024(2) -0.0006(2) Cl3U231 -0.0048(3) 0.0027(4) Cl3U112 -0.0033(3) 0.0013(3) Cl3U222 -0.0162(7) 0.0035(8) Cl3U332 -0.0012(5) 0.0029(6) Cl3U122 0.0077(4) -0.0031(4) Cl3U132 0.0023(3) -0.0019(3) Cl3U232 -0.0069(6) 0.0033(5) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_publ_flag _geom_bond_distance_max _geom_bond_distance_min _geom_bond_distance_av _geom_bond_site_ssg_symmetry_1 _geom_bond_site_ssg_symmetry_2 Rb1 Rb1 yes 5.036(4) 4.875(4) 4.940(4) . 4_4665 Rb1 Rb1 yes 5.036(4) 4.875(4) 4.941(4) . 4_5665 Rb1 Rb2 yes 5.418(4) 5.349(3) 5.382(4) . . Rb1 Rb2 yes 4.797(3) 4.765(4) 4.782(4) . 2_5655 Rb1 Rb2 yes 5.312(3) 5.073(3) 5.181(3) . 3_5465 Rb1 Rb2 yes 5.312(3) 5.073(3) 5.179(3) . 3_6465 Rb1 Rb2 yes 4.797(3) 4.663(4) 4.734(3) . 4_4665 Rb1 Rb2 yes 4.797(3) 4.663(4) 4.735(3) . 4_5665 Rb1 Zn yes 3.766(4) 3.732(4) 3.749(4) . . Rb1 Zn yes 4.285(4) 4.204(4) 4.244(4) . 2_5555 Rb1 Cl1 yes 3.264(6) 3.243(6) 3.255(6) . 1_5565 Rb1 Cl2 yes 3.664(6) 3.600(5) 3.631(6) . . Rb1 Cl2 yes 3.911(12) 3.389(12) 3.651(12) . 4_4665 Rb1 Cl2 yes 3.911(12) 3.389(12) 3.649(12) . 4_5665 Rb1 Cl3 yes 3.715(11) 3.372(10) 3.544(11) . . Rb1 Cl3 yes 4.354(11) 3.592(12) 3.970(12) . 2_5555 Rb1 Cl3 yes 4.097(12) 3.364(11) 3.733(12) . 4_5665 Rb1 Cl3 yes 4.097(12) 3.364(11) 3.731(12) . 5_5665 Rb1 Cl3 yes 4.354(11) 3.592(12) 3.971(12) . 7_5555 Rb1 Cl3 yes 3.715(11) 3.372(10) 3.544(11) . 8_5555 Rb2 Rb2 yes 4.952(3) 4.916(3) 4.931(3) . 2_5645 Rb2 Rb2 yes 4.952(3) 4.916(3) 4.932(3) . 2_5655 Rb2 Zn yes 3.947(3) 3.927(3) 3.937(3) . 2_5655 Rb2 Zn yes 4.455(3) 4.152(3) 4.308(3) . 3_5555 Rb2 Zn yes 4.455(3) 4.152(3) 4.306(3) . 3_6555 Rb2 Cl1 yes 3.327(7) 3.300(7) 3.315(6) . 2_5655 Rb2 Cl1 yes 4.252(11) 3.456(10) 3.852(10) . 3_5555 Rb2 Cl1 yes 4.252(11) 3.456(10) 3.847(10) . 3_6555 Rb2 Cl2 yes 3.361(5) 3.323(5) 3.347(5) . . Rb2 Cl2 yes 3.337(5) 3.314(5) 3.327(5) . 2_5655 Rb2 Cl3 yes 3.371(11) 3.299(10) 3.328(10) . 3_5555 Rb2 Cl3 yes 3.344(11) 3.239(11) 3.294(11) . 4_5665 Rb2 Cl3 yes 3.344(11) 3.239(11) 3.294(11) . 5_5665 Rb2 Cl3 yes 3.371(11) 3.299(10) 3.329(10) . 6_5555 Zn Cl1 yes 2.247(6) 2.224(6) 2.234(6) . . Zn Cl2 yes 2.268(6) 2.253(6) 2.261(6) . . Zn Cl3 yes 2.277(9) 2.221(10) 2.249(10) . . Zn Cl3 yes 2.277(9) 2.221(10) 2.249(10) . 8_5555 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_publ_flag _geom_angle_max _geom_angle_min _geom_angle_av _geom_angle_site_ssg_symmetry_1 _geom_angle_site_ssg_symmetry_2 _geom_angle_site_ssg_symmetry_3 Rb1 Rb1 Rb1 yes 94.91(7) 93.75(7) 94.24(7) 4_4665 . 4_5665 Rb1 Rb1 Rb2 yes 54.90(5) 53.69(5) 54.39(5) 4_4665 . . Rb1 Rb1 Rb2 yes 91.29(7) 87.83(6) 89.20(6) 4_4665 . 2_5655 Rb1 Rb1 Rb2 yes 86.63(6) 84.00(5) 85.43(6) 4_4665 . 3_5465 Rb1 Rb1 Rb2 yes 161.70(8) 160.11(8) 160.81(8) 4_4665 . 3_6465 Rb1 Rb1 Rb2 yes 68.97(5) 66.33(5) 67.58(5) 4_4665 . 4_4665 Rb1 Rb1 Rb2 yes 138.21(8) 137.08(7) 137.65(7) 4_4665 . 4_5665 Rb1 Rb1 Zn yes 60.32(6) 59.02(6) 59.48(6) 4_4665 . . Rb1 Rb1 Zn yes 126.36(8) 122.13(7) 124.52(7) 4_4665 . 2_5555 Rb1 Rb1 Cl1 yes 121.96(18) 111.86(18) 117.31(18) 4_4665 . 1_5565 Rb1 Rb1 Cl2 yes 52.20(18) 42.28(18) 47.48(18) 4_4665 . . Rb1 Rb1 Cl2 yes 47.77(8) 45.93(9) 46.98(9) 4_4665 . 4_4665 Rb1 Rb1 Cl2 yes 141.73(11) 138.86(12) 140.47(11) 4_4665 . 4_5665 Rb1 Rb1 Cl3 yes 53.8(2) 43.6(2) 48.8(2) 4_4665 . . Rb1 Rb1 Cl3 yes 157.08(16) 153.59(18) 155.75(17) 4_4665 . 2_5555 Rb1 Rb1 Cl3 yes 91.50(17) 89.73(18) 90.84(17) 4_4665 . 4_5665 Rb1 Rb1 Cl3 yes 47.06(18) 43.69(18) 45.50(17) 4_4665 . 5_5665 Rb1 Rb1 Cl3 yes 106.53(16) 102.81(13) 104.44(15) 4_4665 . 7_5555 Rb1 Rb1 Cl3 yes 95.75(19) 94.13(17) 95.03(18) 4_4665 . 8_5555 Rb1 Rb1 Rb2 yes 54.90(5) 53.69(5) 54.39(5) 4_5665 . . Rb1 Rb1 Rb2 yes 91.29(7) 87.83(6) 89.22(6) 4_5665 . 2_5655 Rb1 Rb1 Rb2 yes 161.70(8) 160.11(8) 160.82(8) 4_5665 . 3_5465 Rb1 Rb1 Rb2 yes 86.63(6) 84.00(5) 85.44(6) 4_5665 . 3_6465 Rb1 Rb1 Rb2 yes 138.21(8) 137.08(7) 137.65(7) 4_5665 . 4_4665 Rb1 Rb1 Rb2 yes 68.97(5) 66.33(5) 67.57(5) 4_5665 . 4_5665 Rb1 Rb1 Zn yes 60.32(6) 59.02(6) 59.48(6) 4_5665 . . Rb1 Rb1 Zn yes 126.36(8) 122.13(7) 124.54(7) 4_5665 . 2_5555 Rb1 Rb1 Cl1 yes 121.96(18) 111.86(18) 117.25(18) 4_5665 . 1_5565 Rb1 Rb1 Cl2 yes 52.20(18) 42.28(18) 47.40(18) 4_5665 . . Rb1 Rb1 Cl2 yes 141.73(11) 138.86(12) 140.48(11) 4_5665 . 4_4665 Rb1 Rb1 Cl2 yes 47.77(8) 45.93(9) 46.97(9) 4_5665 . 4_5665 Rb1 Rb1 Cl3 yes 95.75(19) 94.13(17) 95.03(18) 4_5665 . . Rb1 Rb1 Cl3 yes 106.53(16) 102.81(13) 104.44(15) 4_5665 . 2_5555 Rb1 Rb1 Cl3 yes 47.06(18) 43.69(18) 45.52(17) 4_5665 . 4_5665 Rb1 Rb1 Cl3 yes 91.50(17) 89.73(18) 90.84(17) 4_5665 . 5_5665 Rb1 Rb1 Cl3 yes 157.08(16) 153.59(18) 155.77(17) 4_5665 . 7_5555 Rb1 Rb1 Cl3 yes 53.8(2) 43.6(2) 48.8(2) 4_5665 . 8_5555 Rb2 Rb1 Rb2 yes 58.21(5) 57.34(5) 57.69(5) . . 2_5655 Rb2 Rb1 Rb2 yes 112.76(6) 111.39(6) 111.97(6) . . 3_5465 Rb2 Rb1 Rb2 yes 112.76(6) 111.39(6) 111.97(6) . . 3_6465 Rb2 Rb1 Rb2 yes 122.76(6) 120.61(6) 121.97(6) . . 4_4665 Rb2 Rb1 Rb2 yes 122.76(6) 120.61(6) 121.96(6) . . 4_5665 Rb2 Rb1 Zn yes 73.49(6) 72.32(6) 72.90(6) . . . Rb2 Rb1 Zn yes 177.82(8) 176.72(8) 177.22(8) . . 2_5555 Rb2 Rb1 Cl1 yes 101.79(12) 100.67(12) 101.21(12) . . 1_5565 Rb2 Rb1 Cl2 yes 38.10(9) 37.24(9) 37.64(9) . . . Rb2 Rb1 Cl2 yes 91.15(10) 88.78(11) 89.98(10) . . 4_4665 Rb2 Rb1 Cl2 yes 91.15(10) 88.78(11) 89.97(10) . . 4_5665 Rb2 Rb1 Cl3 yes 96.0(2) 87.2(2) 91.7(2) . . . Rb2 Rb1 Cl3 yes 151.62(18) 148.56(15) 149.80(17) . . 2_5555 Rb2 Rb1 Cl3 yes 37.70(16) 35.78(18) 36.87(17) . . 4_5665 Rb2 Rb1 Cl3 yes 37.70(16) 35.78(18) 36.87(17) . . 5_5665 Rb2 Rb1 Cl3 yes 151.62(18) 148.56(15) 149.79(17) . . 7_5555 Rb2 Rb1 Cl3 yes 96.0(2) 87.2(2) 91.7(2) . . 8_5555 Rb2 Rb1 Rb2 yes 72.81(5) 70.30(5) 71.62(5) 2_5655 . 3_5465 Rb2 Rb1 Rb2 yes 72.81(5) 70.30(5) 71.63(5) 2_5655 . 3_6465 Rb2 Rb1 Rb2 yes 128.43(7) 124.18(7) 126.40(7) 2_5655 . 4_4665 Rb2 Rb1 Rb2 yes 128.43(7) 124.18(7) 126.43(7) 2_5655 . 4_5665 Rb2 Rb1 Zn yes 131.62(8) 129.65(8) 130.54(8) 2_5655 . . Rb2 Rb1 Zn yes 125.34(7) 124.20(8) 124.68(8) 2_5655 . 2_5555 Rb2 Rb1 Cl1 yes 43.98(11) 43.57(11) 43.78(11) 2_5655 . 1_5565 Rb2 Rb1 Cl2 yes 96.23(10) 94.50(10) 95.16(10) 2_5655 . . Rb2 Rb1 Cl2 yes 86.42(10) 81.32(10) 83.80(10) 2_5655 . 4_4665 Rb2 Rb1 Cl2 yes 86.42(10) 81.32(10) 83.84(10) 2_5655 . 4_5665 Rb2 Rb1 Cl3 yes 144.9(2) 131.3(2) 137.9(2) 2_5655 . . Rb2 Rb1 Cl3 yes 108.82(18) 103.84(19) 106.04(19) 2_5655 . 2_5555 Rb2 Rb1 Cl3 yes 44.65(19) 42.76(15) 43.76(17) 2_5655 . 4_5665 Rb2 Rb1 Cl3 yes 44.65(19) 42.76(15) 43.76(17) 2_5655 . 5_5665 Rb2 Rb1 Cl3 yes 108.82(18) 103.84(19) 106.00(19) 2_5655 . 7_5555 Rb2 Rb1 Cl3 yes 144.9(2) 131.3(2) 138.0(2) 2_5655 . 8_5555 Rb2 Rb1 Rb2 yes 89.04(6) 88.31(6) 88.67(6) 3_5465 . 3_6465 Rb2 Rb1 Rb2 yes 60.11(5) 58.38(4) 59.44(5) 3_5465 . 4_4665 Rb2 Rb1 Rb2 yes 125.54(7) 122.46(7) 124.09(7) 3_5465 . 4_5665 Rb2 Rb1 Zn yes 135.64(8) 132.00(7) 133.83(7) 3_5465 . . Rb2 Rb1 Zn yes 70.81(6) 68.10(5) 69.62(5) 3_5465 . 2_5555 Rb2 Rb1 Cl1 yes 54.11(18) 42.17(18) 47.92(18) 3_5465 . 1_5565 Rb2 Rb1 Cl2 yes 137.24(18) 126.36(18) 131.91(18) 3_5465 . . Rb2 Rb1 Cl2 yes 40.87(8) 37.87(8) 39.59(8) 3_5465 . 4_4665 Rb2 Rb1 Cl2 yes 129.29(9) 126.04(10) 128.02(10) 3_5465 . 4_5665 Rb2 Rb1 Cl3 yes 100.90(16) 96.75(16) 99.01(17) 3_5465 . . Rb2 Rb1 Cl3 yes 83.64(14) 80.60(16) 81.86(15) 3_5465 . 2_5555 Rb2 Rb1 Cl3 yes 116.48(19) 114.06(16) 115.32(18) 3_5465 . 4_5665 Rb2 Rb1 Cl3 yes 76.40(19) 74.00(16) 75.26(17) 3_5465 . 5_5665 Rb2 Rb1 Cl3 yes 40.89(16) 37.94(18) 39.34(17) 3_5465 . 7_5555 Rb2 Rb1 Cl3 yes 156.2(2) 144.6(2) 150.3(2) 3_5465 . 8_5555 Rb2 Rb1 Rb2 yes 125.54(7) 122.46(7) 124.07(7) 3_6465 . 4_4665 Rb2 Rb1 Rb2 yes 60.11(5) 58.38(4) 59.45(5) 3_6465 . 4_5665 Rb2 Rb1 Zn yes 135.64(8) 132.00(7) 133.85(7) 3_6465 . . Rb2 Rb1 Zn yes 70.81(6) 68.10(5) 69.63(5) 3_6465 . 2_5555 Rb2 Rb1 Cl1 yes 54.11(18) 42.17(18) 47.84(18) 3_6465 . 1_5565 Rb2 Rb1 Cl2 yes 137.24(18) 126.36(18) 131.84(18) 3_6465 . . Rb2 Rb1 Cl2 yes 129.29(9) 126.04(10) 128.00(10) 3_6465 . 4_4665 Rb2 Rb1 Cl2 yes 40.87(8) 37.87(8) 39.61(8) 3_6465 . 4_5665 Rb2 Rb1 Cl3 yes 156.2(2) 144.6(2) 150.4(2) 3_6465 . . Rb2 Rb1 Cl3 yes 40.89(16) 37.94(18) 39.36(17) 3_6465 . 2_5555 Rb2 Rb1 Cl3 yes 76.40(19) 74.00(16) 75.26(17) 3_6465 . 4_5665 Rb2 Rb1 Cl3 yes 116.48(19) 114.06(16) 115.34(18) 3_6465 . 5_5665 Rb2 Rb1 Cl3 yes 83.64(14) 80.60(16) 81.85(15) 3_6465 . 7_5555 Rb2 Rb1 Cl3 yes 100.90(16) 96.75(16) 99.04(17) 3_6465 . 8_5555 Rb2 Rb1 Rb2 yes 100.15(7) 99.19(6) 99.75(7) 4_4665 . 4_5665 Rb2 Rb1 Zn yes 79.41(6) 78.11(6) 78.72(6) 4_4665 . . Rb2 Rb1 Zn yes 58.97(5) 54.56(5) 57.00(5) 4_4665 . 2_5555 Rb2 Rb1 Cl1 yes 110.07(17) 100.71(17) 104.89(17) 4_4665 . 1_5565 Rb2 Rb1 Cl2 yes 106.16(16) 96.39(16) 101.35(16) 4_4665 . . Rb2 Rb1 Cl2 yes 45.13(9) 43.94(9) 44.65(9) 4_4665 . 4_4665 Rb2 Rb1 Cl2 yes 144.70(11) 142.30(12) 143.64(12) 4_4665 . 4_5665 Rb2 Rb1 Cl3 yes 45.3(2) 42.70(18) 44.04(19) 4_4665 . . Rb2 Rb1 Cl3 yes 90.37(17) 86.02(17) 88.20(16) 4_4665 . 2_5555 Rb2 Rb1 Cl3 yes 158.80(16) 155.86(18) 157.64(17) 4_4665 . 4_5665 Rb2 Rb1 Cl3 yes 101.30(17) 99.35(15) 100.28(16) 4_4665 . 5_5665 Rb2 Rb1 Cl3 yes 45.12(16) 42.65(14) 43.76(15) 4_4665 . 7_5555 Rb2 Rb1 Cl3 yes 98.6(2) 88.08(18) 93.25(19) 4_4665 . 8_5555 Rb2 Rb1 Zn yes 79.41(6) 78.11(6) 78.73(6) 4_5665 . . Rb2 Rb1 Zn yes 58.97(5) 54.56(5) 57.03(5) 4_5665 . 2_5555 Rb2 Rb1 Cl1 yes 110.07(17) 100.71(17) 104.83(17) 4_5665 . 1_5565 Rb2 Rb1 Cl2 yes 106.16(16) 96.39(16) 101.28(16) 4_5665 . . Rb2 Rb1 Cl2 yes 144.70(11) 142.30(12) 143.65(12) 4_5665 . 4_4665 Rb2 Rb1 Cl2 yes 45.13(9) 43.94(9) 44.64(9) 4_5665 . 4_5665 Rb2 Rb1 Cl3 yes 98.6(2) 88.08(18) 93.33(19) 4_5665 . . Rb2 Rb1 Cl3 yes 45.12(16) 42.65(14) 43.76(15) 4_5665 . 2_5555 Rb2 Rb1 Cl3 yes 101.30(17) 99.35(15) 100.28(16) 4_5665 . 4_5665 Rb2 Rb1 Cl3 yes 158.80(16) 155.86(18) 157.63(17) 4_5665 . 5_5665 Rb2 Rb1 Cl3 yes 90.37(17) 86.02(17) 88.23(16) 4_5665 . 7_5555 Rb2 Rb1 Cl3 yes 45.3(2) 42.70(18) 44.02(19) 4_5665 . 8_5555 Zn Rb1 Zn yes 105.33(8) 103.77(8) 104.67(8) . . 2_5555 Zn Rb1 Cl1 yes 175.17(15) 170.85(17) 172.90(16) . . 1_5565 Zn Rb1 Cl2 yes 35.78(9) 35.48(9) 35.63(9) . . . Zn Rb1 Cl2 yes 97.72(10) 96.44(10) 96.96(10) . . 4_4665 Zn Rb1 Cl2 yes 97.72(10) 96.44(10) 96.97(10) . . 4_5665 Zn Rb1 Cl3 yes 36.69(17) 34.71(17) 35.76(17) . . . Zn Rb1 Cl3 yes 120.2(2) 115.85(18) 117.66(19) . . 2_5555 Zn Rb1 Cl3 yes 97.66(19) 93.4(2) 95.63(19) . . 4_5665 Zn Rb1 Cl3 yes 97.66(19) 93.4(2) 95.60(19) . . 5_5665 Zn Rb1 Cl3 yes 120.2(2) 115.85(18) 117.67(19) . . 7_5555 Zn Rb1 Cl3 yes 36.69(17) 34.71(17) 35.76(17) . . 8_5555 Zn Rb1 Cl1 yes 82.05(12) 80.60(12) 81.19(12) 2_5555 . 1_5565 Zn Rb1 Cl2 yes 140.36(11) 139.19(12) 139.92(12) 2_5555 . . Zn Rb1 Cl2 yes 92.48(10) 87.40(10) 90.32(10) 2_5555 . 4_4665 Zn Rb1 Cl2 yes 92.48(10) 87.40(10) 90.35(10) 2_5555 . 4_5665 Zn Rb1 Cl3 yes 90.7(2) 82.2(2) 86.2(2) 2_5555 . . Zn Rb1 Cl3 yes 32.29(17) 30.48(15) 31.33(16) 2_5555 . 2_5555 Zn Rb1 Cl3 yes 146.3(2) 142.34(17) 144.47(18) 2_5555 . 4_5665 Zn Rb1 Cl3 yes 146.3(2) 142.34(17) 144.46(18) 2_5555 . 5_5665 Zn Rb1 Cl3 yes 32.29(17) 30.48(15) 31.33(16) 2_5555 . 7_5555 Zn Rb1 Cl3 yes 90.7(2) 82.2(2) 86.2(2) 2_5555 . 8_5555 Cl1 Rb1 Cl2 yes 139.47(15) 136.55(17) 137.97(17) 1_5565 . . Cl1 Rb1 Cl2 yes 89.2(2) 77.1(2) 82.9(2) 1_5565 . 4_4665 Cl1 Rb1 Cl2 yes 89.2(2) 77.1(2) 82.8(2) 1_5565 . 4_5665 Cl1 Rb1 Cl3 yes 151.3(3) 143.0(2) 146.9(2) 1_5565 . . Cl1 Rb1 Cl3 yes 69.1(2) 65.8(2) 67.4(2) 1_5565 . 2_5555 Cl1 Rb1 Cl3 yes 83.6(2) 74.4(2) 79.3(2) 1_5565 . 4_5665 Cl1 Rb1 Cl3 yes 83.6(2) 74.4(2) 79.3(2) 1_5565 . 5_5665 Cl1 Rb1 Cl3 yes 69.1(2) 65.8(2) 67.4(2) 1_5565 . 7_5555 Cl1 Rb1 Cl3 yes 151.3(3) 143.0(2) 146.8(2) 1_5565 . 8_5555 Cl2 Rb1 Cl2 yes 99.9(2) 88.5(2) 94.5(2) . . 4_4665 Cl2 Rb1 Cl2 yes 99.9(2) 88.5(2) 94.4(2) . . 4_5665 Cl2 Rb1 Cl3 yes 61.9(3) 59.0(2) 60.4(2) . . . Cl2 Rb1 Cl3 yes 151.1(2) 139.5(2) 145.0(2) . . 2_5555 Cl2 Rb1 Cl3 yes 67.1(2) 62.9(2) 65.0(2) . . 4_5665 Cl2 Rb1 Cl3 yes 67.1(2) 62.9(2) 65.1(2) . . 5_5665 Cl2 Rb1 Cl3 yes 151.1(2) 139.5(2) 145.1(2) . . 7_5555 Cl2 Rb1 Cl3 yes 61.9(3) 59.0(2) 60.4(2) . . 8_5555 Cl2 Rb1 Cl2 yes 166.09(13) 165.03(14) 165.37(14) 4_4665 . 4_5665 Cl2 Rb1 Cl3 yes 69.93(17) 63.05(17) 66.70(17) 4_4665 . . Cl2 Rb1 Cl3 yes 116.21(16) 112.65(18) 114.87(17) 4_4665 . 2_5555 Cl2 Rb1 Cl3 yes 117.81(18) 114.62(19) 116.06(18) 4_4665 . 4_5665 Cl2 Rb1 Cl3 yes 59.20(18) 56.96(17) 58.08(17) 4_4665 . 5_5665 Cl2 Rb1 Cl3 yes 63.17(17) 59.58(15) 61.58(16) 4_4665 . 7_5555 Cl2 Rb1 Cl3 yes 131.21(19) 124.23(17) 127.80(18) 4_4665 . 8_5555 Cl2 Rb1 Cl3 yes 131.21(19) 124.23(17) 127.86(18) 4_5665 . . Cl2 Rb1 Cl3 yes 63.17(17) 59.58(15) 61.59(16) 4_5665 . 2_5555 Cl2 Rb1 Cl3 yes 59.20(18) 56.96(17) 58.08(17) 4_5665 . 4_5665 Cl2 Rb1 Cl3 yes 117.81(18) 114.62(19) 116.07(18) 4_5665 . 5_5665 Cl2 Rb1 Cl3 yes 116.21(16) 112.65(18) 114.89(17) 4_5665 . 7_5555 Cl2 Rb1 Cl3 yes 69.93(17) 63.05(17) 66.75(17) 4_5665 . 8_5555 Cl3 Rb1 Cl3 yes 117.2(3) 108.7(3) 113.2(3) . . 2_5555 Cl3 Rb1 Cl3 yes 127.6(3) 122.8(3) 124.8(3) . . 4_5665 Cl3 Rb1 Cl3 yes 100.7(3) 87.3(3) 94.3(3) . . 5_5665 Cl3 Rb1 Cl3 yes 90.1(3) 82.8(3) 86.2(3) . . 7_5555 Cl3 Rb1 Cl3 yes 62.0(2) 61.0(2) 61.5(2) . . 8_5555 Cl3 Rb1 Cl3 yes 114.9(2) 111.9(2) 113.2(2) 2_5555 . 4_5665 Cl3 Rb1 Cl3 yes 150.5(3) 143.1(2) 146.7(3) 2_5555 . 5_5665 Cl3 Rb1 Cl3 yes 54.34(19) 53.39(18) 53.80(19) 2_5555 . 7_5555 Cl3 Rb1 Cl3 yes 90.1(3) 82.8(2) 86.1(3) 2_5555 . 8_5555 Cl3 Rb1 Cl3 yes 58.9(2) 58.2(2) 58.5(2) 4_5665 . 5_5665 Cl3 Rb1 Cl3 yes 150.5(3) 143.1(2) 146.6(3) 4_5665 . 7_5555 Cl3 Rb1 Cl3 yes 100.7(3) 87.3(3) 94.4(3) 4_5665 . 8_5555 Cl3 Rb1 Cl3 yes 114.9(2) 111.9(2) 113.2(2) 5_5665 . 7_5555 Cl3 Rb1 Cl3 yes 127.6(3) 122.8(3) 124.8(3) 5_5665 . 8_5555 Cl3 Rb1 Cl3 yes 117.2(3) 108.7(3) 113.2(3) 7_5555 . 8_5555 Rb1 Rb2 Rb1 yes 151.14(6) 150.06(6) 150.65(6) . . 2_5645 Rb1 Rb2 Rb1 yes 92.94(6) 91.76(5) 92.28(5) . . 3_5565 Rb1 Rb2 Rb1 yes 92.94(6) 91.76(5) 92.29(5) . . 3_6565 Rb1 Rb2 Rb1 yes 59.03(5) 57.21(5) 58.03(5) . . 4_4665 Rb1 Rb2 Rb1 yes 59.03(5) 57.21(5) 58.04(5) . . 4_5665 Rb1 Rb2 Rb2 yes 83.53(4) 83.22(5) 83.37(5) . . 2_5645 Rb1 Rb2 Rb2 yes 55.21(4) 54.80(4) 55.04(4) . . 2_5655 Rb1 Rb2 Zn yes 132.42(7) 131.95(7) 132.14(7) . . 2_5655 Rb1 Rb2 Zn yes 114.72(6) 112.76(6) 113.72(6) . . 3_5555 Rb1 Rb2 Zn yes 114.72(6) 112.76(6) 113.74(6) . . 3_6555 Rb1 Rb2 Cl1 yes 166.54(11) 164.55(14) 165.80(12) . . 2_5655 Rb1 Rb2 Cl1 yes 109.86(12) 105.90(10) 107.61(11) . . 3_5555 Rb1 Rb2 Cl1 yes 109.86(12) 105.90(10) 107.65(11) . . 3_6555 Rb1 Rb2 Cl2 yes 41.77(9) 41.30(9) 41.49(9) . . . Rb1 Rb2 Cl2 yes 97.68(10) 96.94(10) 97.36(10) . . 2_5655 Rb1 Rb2 Cl3 yes 112.1(2) 100.6(2) 106.1(2) . . 3_5555 Rb1 Rb2 Cl3 yes 49.5(2) 36.6(2) 43.1(2) . . 4_5665 Rb1 Rb2 Cl3 yes 49.5(2) 36.6(2) 43.1(2) . . 5_5665 Rb1 Rb2 Cl3 yes 112.1(2) 100.6(2) 106.2(2) . . 6_5555 Rb1 Rb2 Rb1 yes 110.33(6) 106.80(6) 108.35(6) 2_5645 . 3_5565 Rb1 Rb2 Rb1 yes 110.33(6) 106.80(6) 108.36(6) 2_5645 . 3_6565 Rb1 Rb2 Rb1 yes 108.01(7) 103.79(6) 106.35(6) 2_5645 . 4_4665 Rb1 Rb2 Rb1 yes 108.01(7) 103.79(6) 106.35(6) 2_5645 . 4_5665 Rb1 Rb2 Rb2 yes 67.82(5) 66.70(5) 67.28(5) 2_5645 . 2_5645 Rb1 Rb2 Rb2 yes 154.58(6) 153.53(6) 154.17(6) 2_5645 . 2_5655 Rb1 Rb2 Zn yes 77.44(6) 76.78(6) 77.14(6) 2_5645 . 2_5655 Rb1 Rb2 Zn yes 59.31(5) 56.77(5) 58.10(5) 2_5645 . 3_5555 Rb1 Rb2 Zn yes 59.31(5) 56.77(5) 58.09(5) 2_5645 . 3_6555 Rb1 Rb2 Cl1 yes 42.92(10) 42.72(10) 42.80(10) 2_5645 . 2_5655 Rb1 Rb2 Cl1 yes 80.85(10) 77.70(9) 79.15(10) 2_5645 . 3_5555 Rb1 Rb2 Cl1 yes 80.85(10) 77.70(9) 79.15(10) 2_5645 . 3_6555 Rb1 Rb2 Cl2 yes 109.91(10) 108.56(10) 109.27(10) 2_5645 . . Rb1 Rb2 Cl2 yes 112.28(10) 111.68(10) 111.96(11) 2_5645 . 2_5655 Rb1 Rb2 Cl3 yes 57.3(2) 44.6(2) 51.1(2) 2_5645 . 3_5555 Rb1 Rb2 Cl3 yes 151.98(17) 139.48(19) 146.06(18) 2_5645 . 4_5665 Rb1 Rb2 Cl3 yes 151.98(17) 139.48(19) 146.05(18) 2_5645 . 5_5665 Rb1 Rb2 Cl3 yes 57.3(2) 44.6(2) 51.0(2) 2_5645 . 6_5555 Rb1 Rb2 Rb1 yes 89.04(5) 88.31(5) 88.67(5) 3_5565 . 3_6565 Rb1 Rb2 Rb1 yes 76.68(6) 74.43(6) 75.46(5) 3_5565 . 4_4665 Rb1 Rb2 Rb1 yes 145.77(6) 144.08(7) 144.87(6) 3_5565 . 4_5665 Rb1 Rb2 Rb2 yes 138.33(7) 132.46(7) 135.54(6) 3_5565 . 2_5645 Rb1 Rb2 Rb2 yes 57.07(5) 54.42(5) 55.77(5) 3_5565 . 2_5655 Rb1 Rb2 Zn yes 57.97(5) 54.59(5) 56.20(5) 3_5565 . 2_5655 Rb1 Rb2 Zn yes 71.59(6) 67.85(5) 69.83(5) 3_5565 . 3_5555 Rb1 Rb2 Zn yes 147.02(6) 144.84(6) 146.11(6) 3_5565 . 3_6555 Rb1 Rb2 Cl1 yes 83.35(15) 73.08(15) 78.19(15) 3_5565 . 2_5655 Rb1 Rb2 Cl1 yes 39.97(9) 37.81(8) 38.75(9) 3_5565 . 3_5555 Rb1 Rb2 Cl1 yes 123.46(10) 121.23(11) 122.29(10) 3_5565 . 3_6555 Rb1 Rb2 Cl2 yes 124.27(17) 115.46(17) 120.09(17) 3_5565 . . Rb1 Rb2 Cl2 yes 49.47(19) 39.60(19) 44.48(19) 3_5565 . 2_5655 Rb1 Rb2 Cl3 yes 104.26(17) 94.01(18) 99.52(17) 3_5565 . 3_5555 Rb1 Rb2 Cl3 yes 98.96(19) 96.35(18) 97.67(18) 3_5565 . 4_5665 Rb1 Rb2 Cl3 yes 56.3(2) 44.0(2) 50.0(2) 3_5565 . 5_5665 Rb1 Rb2 Cl3 yes 166.0(2) 152.3(2) 159.2(2) 3_5565 . 6_5555 Rb1 Rb2 Rb1 yes 145.77(6) 144.08(7) 144.86(6) 3_6565 . 4_4665 Rb1 Rb2 Rb1 yes 76.68(6) 74.43(6) 75.48(5) 3_6565 . 4_5665 Rb1 Rb2 Rb2 yes 138.33(7) 132.46(7) 135.58(6) 3_6565 . 2_5645 Rb1 Rb2 Rb2 yes 57.07(5) 54.42(5) 55.79(5) 3_6565 . 2_5655 Rb1 Rb2 Zn yes 57.97(5) 54.59(5) 56.22(5) 3_6565 . 2_5655 Rb1 Rb2 Zn yes 147.02(6) 144.84(6) 146.10(6) 3_6565 . 3_5555 Rb1 Rb2 Zn yes 71.59(6) 67.85(5) 69.86(5) 3_6565 . 3_6555 Rb1 Rb2 Cl1 yes 83.35(15) 73.08(15) 78.26(15) 3_6565 . 2_5655 Rb1 Rb2 Cl1 yes 123.46(10) 121.23(11) 122.29(10) 3_6565 . 3_5555 Rb1 Rb2 Cl1 yes 39.97(9) 37.81(8) 38.77(9) 3_6565 . 3_6555 Rb1 Rb2 Cl2 yes 124.27(17) 115.46(17) 120.04(17) 3_6565 . . Rb1 Rb2 Cl2 yes 49.47(19) 39.60(19) 44.50(19) 3_6565 . 2_5655 Rb1 Rb2 Cl3 yes 166.0(2) 152.3(2) 159.3(2) 3_6565 . 3_5555 Rb1 Rb2 Cl3 yes 56.3(2) 44.0(2) 50.0(2) 3_6565 . 4_5665 Rb1 Rb2 Cl3 yes 98.96(19) 96.35(18) 97.68(18) 3_6565 . 5_5665 Rb1 Rb2 Cl3 yes 104.26(17) 94.01(18) 99.60(17) 3_6565 . 6_5555 Rb1 Rb2 Rb1 yes 100.15(6) 99.20(6) 99.76(6) 4_4665 . 4_5665 Rb1 Rb2 Rb2 yes 66.61(5) 62.91(5) 64.77(5) 4_4665 . 2_5645 Rb1 Rb2 Rb2 yes 91.64(5) 87.90(6) 89.85(6) 4_4665 . 2_5655 Rb1 Rb2 Zn yes 131.49(8) 126.26(7) 128.86(7) 4_4665 . 2_5655 Rb1 Rb2 Zn yes 57.18(5) 54.28(5) 55.74(5) 4_4665 . 3_5555 Rb1 Rb2 Zn yes 136.94(7) 135.92(7) 136.26(7) 4_4665 . 3_6555 Rb1 Rb2 Cl1 yes 134.17(19) 120.03(19) 126.80(19) 4_4665 . 2_5655 Rb1 Rb2 Cl1 yes 62.55(12) 58.00(10) 59.87(11) 4_4665 . 3_5555 Rb1 Rb2 Cl1 yes 161.88(13) 157.17(10) 159.46(11) 4_4665 . 3_6555 Rb1 Rb2 Cl2 yes 55.48(19) 45.19(19) 50.23(19) 4_4665 . . Rb1 Rb2 Cl2 yes 120.04(18) 111.07(18) 115.60(18) 4_4665 . 2_5655 Rb1 Rb2 Cl3 yes 62.0(2) 49.2(2) 55.7(2) 4_4665 . 3_5555 Rb1 Rb2 Cl3 yes 106.6(2) 95.3(2) 100.6(2) 4_4665 . 4_5665 Rb1 Rb2 Cl3 yes 50.90(19) 46.02(19) 48.37(19) 4_4665 . 5_5665 Rb1 Rb2 Cl3 yes 108.2(2) 103.5(2) 106.1(2) 4_4665 . 6_5555 Rb1 Rb2 Rb2 yes 66.61(5) 62.91(5) 64.78(5) 4_5665 . 2_5645 Rb1 Rb2 Rb2 yes 91.64(5) 87.90(6) 89.88(6) 4_5665 . 2_5655 Rb1 Rb2 Zn yes 131.49(8) 126.26(7) 128.90(7) 4_5665 . 2_5655 Rb1 Rb2 Zn yes 136.94(7) 135.92(7) 136.26(7) 4_5665 . 3_5555 Rb1 Rb2 Zn yes 57.18(5) 54.28(5) 55.75(5) 4_5665 . 3_6555 Rb1 Rb2 Cl1 yes 134.17(19) 120.03(19) 126.90(19) 4_5665 . 2_5655 Rb1 Rb2 Cl1 yes 161.88(13) 157.17(10) 159.43(11) 4_5665 . 3_5555 Rb1 Rb2 Cl1 yes 62.55(12) 58.00(10) 59.90(11) 4_5665 . 3_6555 Rb1 Rb2 Cl2 yes 55.48(19) 45.19(19) 50.15(19) 4_5665 . . Rb1 Rb2 Cl2 yes 120.04(18) 111.07(18) 115.64(18) 4_5665 . 2_5655 Rb1 Rb2 Cl3 yes 108.2(2) 103.5(2) 106.1(2) 4_5665 . 3_5555 Rb1 Rb2 Cl3 yes 50.90(19) 46.02(19) 48.41(19) 4_5665 . 4_5665 Rb1 Rb2 Cl3 yes 106.6(2) 95.3(2) 100.6(2) 4_5665 . 5_5665 Rb1 Rb2 Cl3 yes 62.0(2) 49.2(2) 55.8(2) 4_5665 . 6_5555 Rb2 Rb2 Rb2 yes 138.39(5) 138.19(5) 138.30(5) 2_5645 . 2_5655 Rb2 Rb2 Zn yes 144.59(6) 144.06(6) 144.34(6) 2_5645 . 2_5655 Rb2 Rb2 Zn yes 73.17(5) 70.22(5) 71.71(5) 2_5645 . 3_5555 Rb2 Rb2 Zn yes 73.17(5) 70.22(5) 71.72(5) 2_5645 . 3_6555 Rb2 Rb2 Cl1 yes 110.20(11) 109.34(11) 109.79(11) 2_5645 . 2_5655 Rb2 Rb2 Cl1 yes 104.16(11) 97.71(9) 100.87(10) 2_5645 . 3_5555 Rb2 Rb2 Cl1 yes 104.16(11) 97.71(9) 100.90(10) 2_5645 . 3_6555 Rb2 Rb2 Cl2 yes 42.40(9) 41.87(9) 42.21(9) 2_5645 . . Rb2 Rb2 Cl2 yes 179.28(11) 175.2(2) 177.20(19) 2_5645 . 2_5655 Rb2 Rb2 Cl3 yes 42.4(2) 40.57(19) 41.6(2) 2_5645 . 3_5555 Rb2 Rb2 Cl3 yes 112.3(2) 104.2(2) 108.0(2) 2_5645 . 4_5665 Rb2 Rb2 Cl3 yes 112.3(2) 104.2(2) 107.9(2) 2_5645 . 5_5665 Rb2 Rb2 Cl3 yes 42.4(2) 40.57(19) 41.6(2) 2_5645 . 6_5555 Rb2 Rb2 Zn yes 77.27(5) 76.84(5) 77.10(5) 2_5655 . 2_5655 Rb2 Rb2 Zn yes 125.26(7) 118.27(7) 121.83(6) 2_5655 . 3_5555 Rb2 Rb2 Zn yes 125.26(7) 118.27(7) 121.88(6) 2_5655 . 3_6555 Rb2 Rb2 Cl1 yes 111.76(11) 110.78(11) 111.39(11) 2_5655 . 2_5655 Rb2 Rb2 Cl1 yes 95.00(11) 90.11(9) 92.64(9) 2_5655 . 3_5555 Rb2 Rb2 Cl1 yes 95.00(11) 90.11(9) 92.68(9) 2_5655 . 3_6555 Rb2 Rb2 Cl2 yes 96.53(9) 96.05(9) 96.35(9) 2_5655 . . Rb2 Rb2 Cl2 yes 42.89(10) 41.94(10) 42.51(10) 2_5655 . 2_5655 Rb2 Rb2 Cl3 yes 151.88(19) 134.5(2) 143.46(19) 2_5655 . 3_5555 Rb2 Rb2 Cl3 yes 42.91(19) 41.67(18) 42.13(18) 2_5655 . 4_5665 Rb2 Rb2 Cl3 yes 42.91(19) 41.67(18) 42.13(18) 2_5655 . 5_5665 Rb2 Rb2 Cl3 yes 151.88(19) 134.5(2) 143.62(19) 2_5655 . 6_5555 Zn Rb2 Zn yes 92.13(6) 87.73(6) 89.89(6) 2_5655 . 3_5555 Zn Rb2 Zn yes 92.13(6) 87.73(6) 89.92(6) 2_5655 . 3_6555 Zn Rb2 Cl1 yes 34.76(10) 34.34(10) 34.55(10) 2_5655 . 2_5655 Zn Rb2 Cl1 yes 72.88(11) 70.23(10) 71.43(10) 2_5655 . 3_5555 Zn Rb2 Cl1 yes 72.88(11) 70.23(10) 71.45(10) 2_5655 . 3_6555 Zn Rb2 Cl2 yes 173.32(11) 170.89(16) 172.44(13) 2_5655 . . Zn Rb2 Cl2 yes 35.12(10) 34.83(10) 35.00(10) 2_5655 . 2_5655 Zn Rb2 Cl3 yes 117.4(2) 109.4(2) 113.2(2) 2_5655 . 3_5555 Zn Rb2 Cl3 yes 107.1(2) 95.8(2) 101.2(2) 2_5655 . 4_5665 Zn Rb2 Cl3 yes 107.1(2) 95.8(2) 101.3(2) 2_5655 . 5_5665 Zn Rb2 Cl3 yes 117.4(2) 109.4(2) 113.2(2) 2_5655 . 6_5555 Zn Rb2 Zn yes 114.56(6) 114.19(6) 114.40(6) 3_5555 . 3_6555 Zn Rb2 Cl1 yes 78.00(17) 66.28(17) 72.01(17) 3_5555 . 2_5655 Zn Rb2 Cl1 yes 32.67(10) 29.63(8) 31.12(9) 3_5555 . 3_5555 Zn Rb2 Cl1 yes 137.24(11) 135.87(11) 136.42(11) 3_5555 . 3_6555 Zn Rb2 Cl2 yes 98.45(17) 88.65(17) 93.65(17) 3_5555 . . Zn Rb2 Cl2 yes 112.81(18) 103.16(18) 107.90(18) 3_5555 . 2_5655 Zn Rb2 Cl3 yes 32.85(17) 28.8(2) 30.97(18) 3_5555 . 3_5555 Zn Rb2 Cl3 yes 161.4(2) 148.56(19) 154.68(19) 3_5555 . 4_5665 Zn Rb2 Cl3 yes 93.36(17) 82.97(18) 88.33(17) 3_5555 . 5_5665 Zn Rb2 Cl3 yes 99.32(18) 88.85(17) 93.66(17) 3_5555 . 6_5555 Zn Rb2 Cl1 yes 78.00(17) 66.28(17) 72.10(17) 3_6555 . 2_5655 Zn Rb2 Cl1 yes 137.24(11) 135.87(11) 136.42(11) 3_6555 . 3_5555 Zn Rb2 Cl1 yes 32.67(10) 29.63(8) 31.13(9) 3_6555 . 3_6555 Zn Rb2 Cl2 yes 98.45(17) 88.65(17) 93.58(17) 3_6555 . . Zn Rb2 Cl2 yes 112.81(18) 103.16(18) 107.95(18) 3_6555 . 2_5655 Zn Rb2 Cl3 yes 99.32(18) 88.85(17) 93.75(17) 3_6555 . 3_5555 Zn Rb2 Cl3 yes 93.36(17) 82.97(18) 88.35(17) 3_6555 . 4_5665 Zn Rb2 Cl3 yes 161.4(2) 148.56(19) 154.69(19) 3_6555 . 5_5665 Zn Rb2 Cl3 yes 32.85(17) 28.8(2) 31.00(18) 3_6555 . 6_5555 Cl1 Rb2 Cl1 yes 75.6(2) 65.2(2) 70.7(2) 2_5655 . 3_5555 Cl1 Rb2 Cl1 yes 75.6(2) 65.2(2) 70.7(2) 2_5655 . 3_6555 Cl1 Rb2 Cl2 yes 152.29(14) 150.69(15) 151.60(15) 2_5655 . . Cl1 Rb2 Cl2 yes 69.75(14) 69.09(14) 69.43(14) 2_5655 . 2_5655 Cl1 Rb2 Cl3 yes 90.1(3) 79.9(3) 84.7(3) 2_5655 . 3_5555 Cl1 Rb2 Cl3 yes 136.6(3) 118.8(3) 128.1(3) 2_5655 . 4_5665 Cl1 Rb2 Cl3 yes 136.6(3) 118.8(3) 128.0(3) 2_5655 . 5_5665 Cl1 Rb2 Cl3 yes 90.1(3) 79.9(3) 84.7(3) 2_5655 . 6_5555 Cl1 Rb2 Cl1 yes 141.25(15) 139.41(15) 140.22(15) 3_5555 . 3_6555 Cl1 Rb2 Cl2 yes 115.7(2) 102.7(2) 109.3(2) 3_5555 . . Cl1 Rb2 Cl2 yes 84.5(2) 73.5(2) 78.9(2) 3_5555 . 2_5655 Cl1 Rb2 Cl3 yes 65.5(2) 56.9(2) 61.36(19) 3_5555 . 3_5555 Cl1 Rb2 Cl3 yes 136.7(2) 129.09(19) 132.8(2) 3_5555 . 4_5665 Cl1 Rb2 Cl3 yes 74.9(2) 62.5(2) 68.8(2) 3_5555 . 5_5665 Cl1 Rb2 Cl3 yes 130.5(2) 117.93(19) 123.6(2) 3_5555 . 6_5555 Cl1 Rb2 Cl2 yes 115.7(2) 102.7(2) 109.2(2) 3_6555 . . Cl1 Rb2 Cl2 yes 84.5(2) 73.5(2) 78.9(2) 3_6555 . 2_5655 Cl1 Rb2 Cl3 yes 130.5(2) 117.93(19) 123.7(2) 3_6555 . 3_5555 Cl1 Rb2 Cl3 yes 74.9(2) 62.5(2) 68.8(2) 3_6555 . 4_5665 Cl1 Rb2 Cl3 yes 136.7(2) 129.09(19) 132.8(2) 3_6555 . 5_5665 Cl1 Rb2 Cl3 yes 65.5(2) 56.9(2) 61.42(19) 3_6555 . 6_5555 Cl2 Rb2 Cl2 yes 139.21(14) 138.25(14) 138.74(14) . . 2_5655 Cl2 Rb2 Cl3 yes 73.5(3) 70.2(3) 72.1(3) . . 3_5555 Cl2 Rb2 Cl3 yes 76.7(3) 70.1(3) 73.3(3) . . 4_5665 Cl2 Rb2 Cl3 yes 76.7(3) 70.1(3) 73.3(3) . . 5_5665 Cl2 Rb2 Cl3 yes 73.5(3) 70.2(3) 72.2(3) . . 6_5555 Cl2 Rb2 Cl3 yes 140.9(3) 134.1(3) 137.7(3) 2_5655 . 3_5555 Cl2 Rb2 Cl3 yes 74.3(2) 70.8(3) 72.8(3) 2_5655 . 4_5665 Cl2 Rb2 Cl3 yes 74.3(2) 70.8(3) 72.8(3) 2_5655 . 5_5665 Cl2 Rb2 Cl3 yes 140.9(3) 134.1(3) 137.8(3) 2_5655 . 6_5555 Cl3 Rb2 Cl3 yes 148.8(3) 139.2(3) 144.8(3) 3_5555 . 4_5665 Cl3 Rb2 Cl3 yes 110.5(3) 93.0(3) 101.9(3) 3_5555 . 5_5665 Cl3 Rb2 Cl3 yes 67.9(2) 65.8(2) 67.1(2) 3_5555 . 6_5555 Cl3 Rb2 Cl3 yes 68.6(2) 66.8(2) 67.8(2) 4_5665 . 5_5665 Cl3 Rb2 Cl3 yes 110.5(3) 93.0(3) 102.0(3) 4_5665 . 6_5555 Cl3 Rb2 Cl3 yes 148.8(3) 139.2(3) 144.8(3) 5_5665 . 6_5555 Rb1 Zn Rb1 yes 99.65(8) 98.30(8) 98.83(8) . . 2_5545 Rb1 Zn Rb2 yes 127.01(9) 125.95(8) 126.59(9) . . 2_5645 Rb1 Zn Rb2 yes 116.32(7) 115.22(7) 115.72(7) . . 3_5455 Rb1 Zn Rb2 yes 116.32(7) 115.22(7) 115.73(7) . . 3_6455 Rb1 Zn Cl1 yes 176.87(18) 172.3(3) 174.4(2) . . . Rb1 Zn Cl2 yes 69.85(14) 68.90(14) 69.34(14) . . . Rb1 Zn Cl3 yes 72.2(3) 63.0(3) 67.2(3) . . . Rb1 Zn Cl3 yes 72.2(3) 63.0(3) 67.2(3) . . 8_5555 Rb1 Zn Rb2 yes 134.92(8) 134.17(8) 134.48(8) 2_5545 . 2_5645 Rb1 Zn Rb2 yes 68.53(6) 65.95(5) 67.24(6) 2_5545 . 3_5455 Rb1 Zn Rb2 yes 68.53(6) 65.95(5) 67.24(6) 2_5545 . 3_6455 Rb1 Zn Cl1 yes 78.36(17) 76.82(17) 77.68(17) 2_5545 . . Rb1 Zn Cl2 yes 167.65(16) 164.1(2) 165.9(2) 2_5545 . . Rb1 Zn Cl3 yes 77.3(3) 57.7(3) 67.6(3) 2_5545 . . Rb1 Zn Cl3 yes 77.3(3) 57.7(3) 67.5(3) 2_5545 . 8_5555 Rb2 Zn Rb2 yes 92.25(6) 87.83(6) 90.06(6) 2_5645 . 3_5455 Rb2 Zn Rb2 yes 92.25(6) 87.83(6) 90.07(6) 2_5645 . 3_6455 Rb2 Zn Cl1 yes 57.62(16) 56.89(16) 57.30(16) 2_5645 . . Rb2 Zn Cl2 yes 57.67(13) 57.41(13) 57.58(13) 2_5645 . . Rb2 Zn Cl3 yes 133.8(3) 118.7(3) 126.1(3) 2_5645 . . Rb2 Zn Cl3 yes 133.8(3) 118.7(3) 126.2(3) 2_5645 . 8_5555 Rb2 Zn Rb2 yes 114.56(7) 114.19(7) 114.40(7) 3_5455 . 3_6455 Rb2 Zn Cl1 yes 70.2(3) 56.3(3) 63.0(3) 3_5455 . . Rb2 Zn Cl2 yes 125.8(3) 108.5(3) 117.3(3) 3_5455 . . Rb2 Zn Cl3 yes 52.9(3) 45.8(3) 49.6(3) 3_5455 . . Rb2 Zn Cl3 yes 143.3(4) 125.9(3) 134.4(3) 3_5455 . 8_5555 Rb2 Zn Cl1 yes 70.2(3) 56.3(3) 63.0(3) 3_6455 . . Rb2 Zn Cl2 yes 125.8(3) 108.5(3) 117.1(3) 3_6455 . . Rb2 Zn Cl3 yes 143.3(4) 125.9(3) 134.5(3) 3_6455 . . Rb2 Zn Cl3 yes 52.9(3) 45.8(3) 49.7(3) 3_6455 . 8_5555 Cl1 Zn Cl2 yes 115.0(2) 114.0(2) 114.6(2) . . . Cl1 Zn Cl3 yes 113.3(4) 109.1(4) 110.9(4) . . . Cl1 Zn Cl3 yes 113.3(4) 109.1(4) 110.9(4) . . 8_5555 Cl2 Zn Cl3 yes 108.0(4) 104.5(4) 106.3(4) . . . Cl2 Zn Cl3 yes 108.0(4) 104.5(4) 106.3(4) . . 8_5555 Cl3 Zn Cl3 yes 107.9(4) 107.1(4) 107.5(4) . . 8_5555 Rb1 Cl1 Rb2 yes 93.67(16) 93.17(16) 93.42(16) 1_5545 . 2_5645 Rb1 Cl1 Rb2 yes 98.7(2) 87.6(2) 93.3(2) 1_5545 . 3_5455 Rb1 Cl1 Rb2 yes 98.7(2) 87.6(2) 93.4(2) 1_5545 . 3_6455 Rb1 Cl1 Zn yes 178.5(3) 167.8(5) 173.0(4) 1_5545 . . Rb2 Cl1 Rb2 yes 119.0(3) 100.1(2) 109.3(3) 2_5645 . 3_5455 Rb2 Cl1 Rb2 yes 119.0(3) 100.1(2) 109.3(3) 2_5645 . 3_6455 Rb2 Cl1 Zn yes 88.4(2) 87.88(18) 88.2(2) 2_5645 . . Rb2 Cl1 Rb2 yes 141.25(19) 139.41(19) 140.23(18) 3_5455 . 3_6455 Rb2 Cl1 Zn yes 91.1(3) 80.1(3) 85.8(3) 3_5455 . . Rb2 Cl1 Zn yes 91.1(3) 80.1(3) 85.8(3) 3_6455 . . Rb1 Cl2 Rb1 yes 91.7(2) 80.3(2) 85.5(2) . . 4_4665 Rb1 Cl2 Rb1 yes 91.7(2) 80.3(2) 85.6(2) . . 4_5665 Rb1 Cl2 Rb2 yes 101.25(14) 100.29(13) 100.87(14) . . . Rb1 Cl2 Rb2 yes 162.59(16) 160.3(3) 161.4(2) . . 2_5645 Rb1 Cl2 Zn yes 75.37(15) 74.64(15) 75.03(15) . . . Rb1 Cl2 Rb1 yes 166.09(16) 165.03(16) 165.36(16) 4_4665 . 4_5665 Rb1 Cl2 Rb2 yes 90.1(2) 79.4(2) 85.1(2) 4_4665 . . Rb1 Cl2 Rb2 yes 101.8(2) 89.9(2) 95.8(2) 4_4665 . 2_5645 Rb1 Cl2 Zn yes 103.6(3) 86.1(3) 94.4(3) 4_4665 . . Rb1 Cl2 Rb2 yes 90.1(2) 79.4(2) 85.2(2) 4_5665 . . Rb1 Cl2 Rb2 yes 101.8(2) 89.9(2) 96.0(2) 4_5665 . 2_5645 Rb1 Cl2 Zn yes 103.6(3) 86.1(3) 94.6(3) 4_5665 . . Rb2 Cl2 Rb2 yes 96.20(13) 94.70(14) 95.27(13) . . 2_5645 Rb2 Cl2 Zn yes 176.5(2) 165.7(5) 169.4(5) . . . Rb2 Cl2 Zn yes 87.71(16) 87.22(17) 87.42(16) 2_5645 . . Rb1 Cl3 Rb1 yes 114.2(3) 101.9(2) 107.9(2) . . 2_5545 Rb1 Cl3 Rb1 yes 91.9(3) 80.6(2) 85.7(3) . . 4_4665 Rb1 Cl3 Rb2 yes 177.4(4) 160.2(4) 169.1(4) . . 3_5455 Rb1 Cl3 Rb2 yes 90.1(3) 85.3(3) 87.6(3) . . 4_4665 Rb1 Cl3 Zn yes 80.4(3) 73.1(3) 77.1(3) . . . Rb1 Cl3 Rb1 yes 166.0(3) 160.2(3) 163.0(3) 2_5545 . 4_4665 Rb1 Cl3 Rb2 yes 86.6(3) 74.9(2) 80.4(2) 2_5545 . 3_5455 Rb1 Cl3 Rb2 yes 97.1(3) 84.5(3) 90.6(3) 2_5545 . 4_4665 Rb1 Cl3 Zn yes 90.7(3) 72.0(3) 81.1(3) 2_5545 . . Rb1 Cl3 Rb2 yes 90.8(2) 79.6(2) 85.2(2) 4_4665 . 3_5455 Rb1 Cl3 Rb2 yes 107.4(2) 93.0(2) 100.1(2) 4_4665 . 4_4665 Rb1 Cl3 Zn yes 100.0(4) 85.0(3) 92.5(4) 4_4665 . . Rb2 Cl3 Rb2 yes 97.5(2) 95.1(3) 96.3(3) 3_5455 . 4_4665 Rb2 Cl3 Zn yes 105.4(4) 94.2(4) 99.4(4) 3_5455 . . Rb2 Cl3 Zn yes 167.5(4) 149.8(4) 157.4(4) 4_4665 . .