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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 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 may be obtained from # # ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1. # # # # Software is freely available for graphical display of the structure(s) in # # this CIF. For information consult the CIF home page http://www.iucr.org/ # # cif/home.html # # # # Copyright International Union of Crystallography # # # ############################################################################## data_I _audit_creation_method 'Jana2006 Version : 07/03/2005' _journal_date_recd_electronic 2006-04-10 _journal_date_accepted 2006-07-03 _journal_name_full 'Acta Crystallographica, Section B' _journal_year 2006 _journal_volume 62 _journal_issue 5 _journal_page_first 775 _journal_page_last 789 _journal_paper_doi https://doi.org/10.1107/S010876810602547X _journal_paper_category FA _journal_coeditor_code CK5020 _publ_contact_author_name 'Evain, Michel' _publ_contact_author_address ;Laboratoire de Chimie des Solides IMN UMR6502 CNRS Universite de Nantes 2 rue de la Houssiniere BP 32229 44322 Nantes CEDEX3 France ; _publ_contact_author_email michel.evain@cnrs-imn.f _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_section_title ;First (3 + 2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals ; loop_ _publ_author_name _publ_author_address 'Evain, Michel' ;Laboratoire de Chimie des Solides IMN UMR6502 CNRS Universite de Nantes 2 rue de la Houssiniere BP 32229 44322 Nantes CEDEX3 France ; 'Petricek, Vaclav' ;Institute of Physics Academy ofSciences of the Czech Republic Na Slovance 2 182 21 Praha 8 Czech Republic ; 'Moelo, Yves' ;Laboratoire de Chimie des Solides IMN UMR6502 CNRS Universite de Nantes 2 rue de la Houssiniere BP 32229 44322 Nantes CEDEX3 France ; 'Maurel, Colette' ;CNRS 1A rue de la Ferollerie 45071 Orleans CEDEX 2 France ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_weight 474.1 _chemical_melting_point ? _space_group_crystal_system triclinic _space_group_name_H-M_alt 'C-1' _space_group_ssg_name 'C-1(\a~1~\b~1~\g~1~)(\a~2~\b~2~\g~2~)' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4,x5 2 -x1,-x2,-x3,-x4,-x5 3 1/2+x1,1/2+x2,x3,x4,x5 4 1/2-x1,1/2-x2,-x3,-x4,-x5 _cell_length_a 3.6733(4) _cell_length_b 6.3120(5) _cell_length_c 11.9039(12) _cell_angle_alpha 92.484(8) _cell_angle_beta 90.687(9) _cell_angle_gamma 89.941(8) _cell_volume 275.72(5) _cell_formula_units_Z 2 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _cell_modulation_dimension 2 _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_1_5 _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_2_5 _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_3_5 _cell_subsystem_matrix_W_4_1 _cell_subsystem_matrix_W_4_2 _cell_subsystem_matrix_W_4_3 _cell_subsystem_matrix_W_4_4 _cell_subsystem_matrix_W_4_5 _cell_subsystem_matrix_W_5_1 _cell_subsystem_matrix_W_5_2 _cell_subsystem_matrix_W_5_3 _cell_subsystem_matrix_W_5_4 _cell_subsystem_matrix_W_5_5 1 '1-st subsystem' 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 2 '2-nd subsystem' 0 -1 0 -0.5 1 0 1 0 0.5 0 0 0 1 0 0 0 0 0 1 0 1 1 0 0 0 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.00338(6) 0.15278(14) -0.0138(3) 2 0.63105(7) 1.07460(17) -0.4438(3) _exptl_crystal_type_of_structure comp _exptl_crystal_description platelet _exptl_crystal_colour black _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.0024 _exptl_crystal_size_rad ? _exptl_crystal_density_diffrn 5.7089 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 407 _exptl_absorpt_coefficient_mu 37.04 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details '(Jana2006; Petricek, Dusek & Palatinus, 2006)' _exptl_absorpt_correction_T_min 0.039 _exptl_absorpt_correction_T_max 0.912 _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _diffrn_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 99197 _diffrn_reflns_av_R_equivalents 0.1004 _diffrn_reflns_av_unetI/netI 0.0693 _diffrn_reflns_theta_min 6.37 _diffrn_reflns_theta_max 35.02 _diffrn_reflns_theta_full 0.00 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 0.00 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_reduction_process ? _diffrn_reflns_limit_index_m_1_max 11 _diffrn_reflns_limit_index_m_1_min -11 _diffrn_reflns_limit_index_m_2_max 9 _diffrn_reflns_limit_index_m_2_min -9 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _reflns_number_total 29574 _reflns_number_gt 0 _reflns_threshold_expression 'I>2.5\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_all 0.0741 _refine_ls_R_factor_gt 0.0741 _refine_ls_wR_factor_gt 0.0895 _refine_ls_wR_factor_ref 0.0895 _refine_ls_goodness_of_fit_ref 2.65 _refine_ls_restrained_S_all ? _refine_ls_number_reflns 12026 _refine_ls_number_parameters 186 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_hydrogen_treatment ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0004F^2^)' _refine_ls_shift/su_max 0.0005 _refine_ls_shift/su_mean 0.0001 _refine_diff_density_max 3.34 _refine_diff_density_min -3.21 _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? loop_ _reflns_class_code _reflns_class_description _reflns_class_number_gt _reflns_class_R_factor_gt Main 'Main reflections' 1597 0.0477 Sat1 '1st-order satellites' 3257 0.0594 Sat2 '2nd-order satellites' 2850 0.0732 Sat3 '3rd-order satellites' 2094 0.0895 Sat4 '4th-order satellites' 1410 0.120 Sat5 '5th-order satellites' 818 0.187 Cmn 'Common reflections' 13 0.0829 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pb -3.394 10.111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' Sb -0.587 1.546 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' S 0.125 0.123 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' Sn -0.654 1.425 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' Cu 0.320 1.265 '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 '(Jana2006; Petricek and Dusek, 2000)' _computing_molecular_graphics ? _computing_publication_material '(Jana2006; Petricek and Dusek, 2000)' loop_ _atom_site_type_symbol _atom_site_label _atom_site_subsystem_code _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_disorder_assembly _atom_site_disorder_group Sn Sn 1 0 0 0 0.01480(12) Uani d . 0.851(2) . . Cu Cu 1 0.0029(9) 0.0057(5) 0.1147(3) 0.0229(11) Uani d . 0.149(2) . . S S1 1 0.5033(2) 0.84278(12) 0.12342(7) 0.0177(3) Uani d . 1 . . Pb Pb 2 0.05541(5) 0.24113(4) 0.36783(2) 0.03573(12) Uani d . 0.701(10) . . Sb Sb 2 0.055408 0.241132 0.367832 0.03573(12) Uani d . 0.299(10) . . S S2 2 -0.0402(3) 0.2583(2) 0.59639(13) 0.0310(4) Uani d . 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 _atom_site_aniso_type_symbol Sn 0.0137(2) 0.00983(16) 0.0208(3) -0.00043(12) -0.00029(14) 0.00055(12) Sn Cu 0.0180(16) 0.0138(13) 0.037(2) -0.0009(10) -0.0004(12) 0.0021(11) Cu S1 0.0193(4) 0.0133(3) 0.0205(5) -0.0005(3) -0.0005(3) 0.0008(3) S Pb 0.0382(2) 0.03020(16) 0.0390(2) -0.00096(11) -0.00807(14) 0.00192(11) Pb Sb 0.0382(2) 0.03020(16) 0.0390(2) -0.00096(11) -0.00807(14) 0.00192(11) Sb S2 0.0395(8) 0.0295(6) 0.0237(7) -0.0002(5) -0.0052(6) 0.0019(5) S 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 0.00338 0.15278 -0.0138 2 0.63105 1.07460 -0.4438 3 0.00776 0.30556 -0.0276 4 0.01114 0.45834 -0.0414 5 0.01452 0.61112 -0.0552 6 0.63443 1.22738 -0.4576 loop_ _atom_site_occ_Fourier_id _atom_site_occ_Fourier_atom_site_label _atom_site_occ_Fourier_wave_vector_seq_id Pbo1 Pb 1 Pbo2 Pb 2 Pbo3 Pb 3 Pbo4 Pb 4 Sbo1 Sb 1 Sbo2 Sb 2 Sbo3 Sb 3 Sbo4 Sb 4 loop_ _atom_site_occ_Fourier_param_id _atom_site_occ_Fourier_param_cos _atom_site_occ_Fourier_param_sin Pbo1 -0.002(6) 0.170(4) Pbo2 0 0 Pbo3 0.026(5) 0.002(4) Pbo4 0.017(6) -0.042(5) Sbo1 0.002(6) -0.170(4) Sbo2 0 0 Sbo3 -0.026(5) -0.002(4) Sbo4 -0.017(6) 0.042(5) 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 Snx1 Sn x 1 Sny1 Sn y 1 Snz1 Sn z 1 Snx2 Sn x 2 Sny2 Sn y 2 Snz2 Sn z 2 Snx3 Sn x 3 Sny3 Sn y 3 Snz3 Sn z 3 Snx4 Sn x 4 Sny4 Sn y 4 Snz4 Sn z 4 Cux1 Cu x 1 Cuy1 Cu y 1 Cuz1 Cu z 1 Cux2 Cu x 2 Cuy2 Cu y 2 Cuz2 Cu z 2 Cux3 Cu x 3 Cuy3 Cu y 3 Cuz3 Cu z 3 S1x1 S1 x 1 S1y1 S1 y 1 S1z1 S1 z 1 S1x2 S1 x 2 S1y2 S1 y 2 S1z2 S1 z 2 S1x3 S1 x 3 S1y3 S1 y 3 S1z3 S1 z 3 Pbx1 Pb x 1 Pby1 Pb y 1 Pbz1 Pb z 1 Pbx2 Pb x 2 Pby2 Pb y 2 Pbz2 Pb z 2 Pbx3 Pb x 3 Pby3 Pb y 3 Pbz3 Pb z 3 Pbx4 Pb x 4 Pby4 Pb y 4 Pbz4 Pb z 4 Pbx5 Pb x 5 Pby5 Pb y 5 Pbz5 Pb z 5 Pbx6 Pb x 6 Pby6 Pb y 6 Pbz6 Pb z 6 Sbx1 Sb x 1 Sby1 Sb y 1 Sbz1 Sb z 1 Sbx2 Sb x 2 Sby2 Sb y 2 Sbz2 Sb z 2 Sbx3 Sb x 3 Sby3 Sb y 3 Sbz3 Sb z 3 Sbx4 Sb x 4 Sby4 Sb y 4 Sbz4 Sb z 4 Sbx5 Sb x 5 Sby5 Sb y 5 Sbz5 Sb z 5 Sbx6 Sb x 6 Sby6 Sb y 6 Sbz6 Sb z 6 S2x1 S2 x 1 S2y1 S2 y 1 S2z1 S2 z 1 S2x2 S2 x 2 S2y2 S2 y 2 S2z2 S2 z 2 S2x3 S2 x 3 S2y3 S2 y 3 S2z3 S2 z 3 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Snx1 0 -0.00159(16) Sny1 0 -0.00481(8) Snz1 0 -0.06455(5) Snx2 0 0 Sny2 0 0 Snz2 0 0 Snx3 0 0.00004(18) Sny3 0 -0.00395(8) Snz3 0 -0.00108(5) Snx4 0 0.0003(2) Sny4 0 -0.00075(10) Snz4 0 0.00042(6) Cux1 0.0018(11) -0.0012(13) Cuy1 0.0184(6) -0.0092(6) Cuz1 -0.0013(4) -0.0611(4) Cux2 0 0 Cuy2 0 0 Cuz2 0 0 Cux3 0.0002(13) 0.0003(15) Cuy3 -0.0021(7) -0.0036(7) Cuz3 -0.0001(4) 0.0014(4) S1x1 0.0018(3) -0.0012(4) S1y1 0.02435(17) -0.00397(18) S1z1 -0.00034(11) -0.06312(12) S1x2 0 0 S1y2 0 0 S1z2 0 0 S1x3 -0.0002(4) -0.0001(4) S1y3 -0.00007(19) -0.00411(19) S1z3 -0.00031(11) -0.00102(12) Pbx1 -0.00108(7) 0.02947(8) Pby1 -0.02618(6) -0.00518(7) Pbz1 0.00011(3) -0.07516(4) Pbx2 -0.0036(3) -0.0042(3) Pby2 -0.00533(16) -0.00529(17) Pbz2 -0.00363(9) 0.00240(9) Pbx3 0.00007(8) -0.00043(8) Pby3 -0.00090(7) -0.00055(7) Pbz3 -0.00095(4) -0.00090(4) Pbx4 -0.00031(10) -0.00143(10) Pby4 0.00122(8) -0.00018(8) Pbz4 0.00004(4) 0.00267(4) Pbx5 -0.00129(15) -0.00043(15) Pby5 -0.00002(10) 0.00106(10) Pbz5 0.00023(6) 0.00015(6) Pbx6 -0.0053(3) 0.0022(3) Pby6 0.00496(16) -0.00435(17) Pbz6 0.00287(9) 0.00189(9) Sbx1 -0.00108(7) 0.02947(8) Sby1 -0.02618(6) -0.00518(7) Sbz1 0.00011(3) -0.07516(4) Sbx2 -0.0036(3) -0.0042(3) Sby2 -0.00533(16) -0.00529(17) Sbz2 -0.00363(9) 0.00240(9) Sbx3 0.00007(8) -0.00043(8) Sby3 -0.00090(7) -0.00055(7) Sbz3 -0.00095(4) -0.00090(4) Sbx4 -0.00031(10) -0.00143(10) Sby4 0.00122(8) -0.00018(8) Sbz4 0.00004(4) 0.00267(4) Sbx5 -0.00129(15) -0.00043(15) Sby5 -0.00002(10) 0.00106(10) Sbz5 0.00023(6) 0.00015(6) Sbx6 -0.0053(3) 0.0022(3) Sby6 0.00496(16) -0.00435(17) Sbz6 0.00287(9) 0.00189(9) S2x1 0.0007(4) 0.0280(4) S2y1 0.0262(3) -0.0068(3) S2z1 -0.00002(18) -0.07151(17) S2x2 0 0 S2y2 0 0 S2z2 0 0 S2x3 0.0001(4) 0.0008(4) S2y3 -0.0007(3) 0.0017(3) S2z3 -0.00049(17) -0.00096(17) 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 SnU111 Sn U11 1 SnU221 Sn U22 1 SnU331 Sn U33 1 SnU121 Sn U12 1 SnU131 Sn U13 1 SnU231 Sn U23 1 SnU112 Sn U11 2 SnU222 Sn U22 2 SnU332 Sn U33 2 SnU122 Sn U12 2 SnU132 Sn U13 2 SnU232 Sn U23 2 PbU111 Pb U11 1 PbU221 Pb U22 1 PbU331 Pb U33 1 PbU121 Pb U12 1 PbU131 Pb U13 1 PbU231 Pb U23 1 PbU112 Pb U11 2 PbU222 Pb U22 2 PbU332 Pb U33 2 PbU122 Pb U12 2 PbU132 Pb U13 2 PbU232 Pb U23 2 PbU113 Pb U11 3 PbU223 Pb U22 3 PbU333 Pb U33 3 PbU123 Pb U12 3 PbU133 Pb U13 3 PbU233 Pb U23 3 PbU114 Pb U11 4 PbU224 Pb U22 4 PbU334 Pb U33 4 PbU124 Pb U12 4 PbU134 Pb U13 4 PbU234 Pb U23 4 SbU111 Sb U11 1 SbU221 Sb U22 1 SbU331 Sb U33 1 SbU121 Sb U12 1 SbU131 Sb U13 1 SbU231 Sb U23 1 SbU112 Sb U11 2 SbU222 Sb U22 2 SbU332 Sb U33 2 SbU122 Sb U12 2 SbU132 Sb U13 2 SbU232 Sb U23 2 SbU113 Sb U11 3 SbU223 Sb U22 3 SbU333 Sb U33 3 SbU123 Sb U12 3 SbU133 Sb U13 3 SbU233 Sb U23 3 SbU114 Sb U11 4 SbU224 Sb U22 4 SbU334 Sb U33 4 SbU124 Sb U12 4 SbU134 Sb U13 4 SbU234 Sb U23 4 S2U111 S2 U11 1 S2U221 S2 U22 1 S2U331 S2 U33 1 S2U121 S2 U12 1 S2U131 S2 U13 1 S2U231 S2 U23 1 loop_ _atom_site_U_Fourier_param_id _atom_site_U_Fourier_param_cos _atom_site_U_Fourier_param_sin SnU111 0.0002(2) 0 SnU221 -0.00056(18) 0 SnU331 0.0007(3) 0 SnU121 -0.00012(17) 0 SnU131 0.0002(2) 0 SnU231 -0.00053(17) 0 SnU112 0 0 SnU222 0 0 SnU332 0 0 SnU122 0 0 SnU132 0 0 SnU232 0 0 PbU111 0.0002(3) -0.0025(3) PbU221 0.0007(2) 0.0036(2) PbU331 0.0019(3) -0.0110(3) PbU121 -0.00164(15) 0.00023(15) PbU131 -0.00019(18) 0.00244(19) PbU231 0.00668(15) -0.00125(16) PbU112 0 0 PbU222 0 0 PbU332 0 0 PbU122 0 0 PbU132 0 0 PbU232 0 0 PbU113 -0.0007(3) 0.0006(3) PbU223 -0.0002(2) 0.0008(2) PbU333 -0.0007(3) 0.0009(3) PbU123 -0.00006(16) 0.00069(16) PbU133 -0.00023(18) -0.0004(2) PbU233 0.00004(15) -0.00305(16) PbU114 0.0010(4) -0.0003(3) PbU224 -0.0004(3) -0.0009(2) PbU334 0.0012(4) 0.0003(4) PbU124 0.0000(2) -0.0002(2) PbU134 -0.0008(3) 0.0016(3) PbU234 0.0000(2) 0.0007(2) SbU111 0.0002(3) -0.0025(3) SbU221 0.0007(2) 0.0036(2) SbU331 0.0019(3) -0.0110(3) SbU121 -0.00164(15) 0.00023(15) SbU131 -0.00019(18) 0.00244(19) SbU231 0.00668(15) -0.00125(16) SbU112 0 0 SbU222 0 0 SbU332 0 0 SbU122 0 0 SbU132 0 0 SbU232 0 0 SbU113 -0.0007(3) 0.0006(3) SbU223 -0.0002(2) 0.0008(2) SbU333 -0.0007(3) 0.0009(3) SbU123 -0.00006(16) 0.00069(16) SbU133 -0.00023(18) -0.0004(2) SbU233 0.00004(15) -0.00305(16) SbU114 0.0010(4) -0.0003(3) SbU224 -0.0004(3) -0.0009(2) SbU334 0.0012(4) 0.0003(4) SbU124 0.0000(2) -0.0002(2) SbU134 -0.0008(3) 0.0016(3) SbU234 0.0000(2) 0.0007(2) S2U111 0.0006(11) 0.0098(11) S2U221 0.0016(8) 0.0059(8) S2U331 -0.0002(9) -0.0015(10) S2U121 -0.0002(8) 0.0002(7) S2U131 -0.0003(8) 0.0005(9) S2U231 0.0015(7) -0.0006(7)