#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/07/2310772.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2310772 loop_ _publ_author_name 'M\"uller, Carola J' 'Lidin, Sven' _publ_section_title ; Cu3Sn - understanding the systematic absences. ; _journal_coeditor_code DQ5008 _journal_issue 'Pt 5' _journal_name_full 'Acta crystallographica Section B, Structural science, crystal engineering and materials' _journal_page_first 879 _journal_page_last 887 _journal_paper_doi 10.1107/S205252061401806X _journal_volume 70 _journal_year 2014 _chemical_formula_structural 'Cu3 Sn1' _chemical_formula_sum 'Cu3 Sn' _chemical_formula_weight 309.3 _space_group_IT_number 63 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 5.51960(10) _cell_length_b 38.2386(12) _cell_length_c 4.33210(10) _cell_measurement_reflns_used 2178 _cell_measurement_temperature 293 _cell_measurement_theta_max 28.38 _cell_measurement_theta_min 3.2 _cell_volume 914.34(4) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) ; _diffrn_ambient_temperature 293 _diffrn_detector_area_resol_mean 16.1367 _diffrn_measured_fraction_theta_full 0.98 _diffrn_measured_fraction_theta_max 0.97 _diffrn_measurement_device 'four-cycle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_measurement_method '\w and \p scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_source 'Enhance (Mo) X-ray Source' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_reflns_av_R_equivalents 0.0341 _diffrn_reflns_av_unetI/netI 0.0124 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 50 _diffrn_reflns_limit_k_min -49 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_number 7324 _diffrn_reflns_theta_full 28.17 _diffrn_reflns_theta_max 28.38 _diffrn_reflns_theta_min 3.2 _exptl_absorpt_coefficient_mu 37.885 _exptl_absorpt_correction_T_max 0.529 _exptl_absorpt_correction_T_min 0.095 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) ; _exptl_crystal_colour 'metallic intense silver' _exptl_crystal_density_diffrn 8.986 _exptl_crystal_description block _exptl_crystal_F_000 2192 _exptl_crystal_size_max 0.142 _exptl_crystal_size_mid 0.051 _exptl_crystal_size_min 0.018 _refine_diff_density_max 1.34 _refine_diff_density_min -1.25 _refine_ls_extinction_coef 225(12) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 2.54 _refine_ls_goodness_of_fit_ref 1.96 _refine_ls_number_constraints 0 _refine_ls_number_parameters 58 _refine_ls_number_reflns 689 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0419 _refine_ls_R_factor_gt 0.0256 _refine_ls_shift/su_max 0.0485 _refine_ls_shift/su_mean 0.0081 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details w=1/(\s^2^(I)+0.0004I^2^) _refine_ls_weighting_scheme sigma _refine_ls_wR_factor_gt 0.0904 _refine_ls_wR_factor_ref 0.0965 _reflns_number_gt 389 _reflns_number_total 689 _reflns_threshold_expression I>3\s(I) _cod_data_source_file dq5008sup1.cif _cod_data_source_block 673K-superstructure _cod_original_sg_symbol_Hall '-C -2x;-2yc;-2zc' _cod_chemical_formula_sum_orig 'Cu3 Sn1' _cod_database_code 2310772 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,-y,z+1/2 3 -x,y,-z+1/2 4 x,-y,-z 5 -x,-y,-z 6 x,y,-z+1/2 7 x,-y,z+1/2 8 -x,y,z 9 x+1/2,y+1/2,z 10 -x+1/2,-y+1/2,z+1/2 11 -x+1/2,y+1/2,-z+1/2 12 x+1/2,-y+1/2,-z 13 -x+1/2,-y+1/2,-z 14 x+1/2,y+1/2,-z+1/2 15 x+1/2,-y+1/2,z+1/2 16 -x+1/2,y+1/2,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag Sn1 Sn 0.5 0.29211(2) 0.25 Uani 0.0068(3) 4 1 d Sn2 Sn 0 0.33254(2) 0.75 Uani 0.0069(3) 4 1 d Sn3 Sn 0 0.45781(3) 0.75 Uani 0.0087(3) 4 1 d Sn4 Sn 0.5 0.41656(3) 0.25 Uani 0.0082(3) 4 1 d Cu1 Cu 0.5 0.46135(5) 0.75 Uani 0.0083(6) 4 1 d Cu2 Cu 0 0.28811(5) 0.25 Uani 0.0111(6) 4 1 d Cu3 Cu 0.26080(17) 0.48005(4) 0.25 Uani 0.0122(5) 8 1 d Cu4 Cu 0 0.41423(5) 0.25 Uani 0.0081(6) 4 1 d Cu5 Cu 0.25216(16) 0.23001(4) 0.25 Uani 0.0112(5) 8 1 d Cu6 Cu 0.5 0.33687(5) 0.75 Uani 0.0119(6) 4 1 d Cu7 Cu 0.25152(15) 0.35505(4) 0.25 Uani 0.0104(5) 8 1 d Cu8 Cu 0.24709(15) 0.39472(4) 0.75 Uani 0.0104(5) 8 1 d loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _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 Sn1 Sn 0.0061(5) 0.0075(5) 0.0070(6) 0 0 0 Sn2 Sn 0.0071(6) 0.0062(5) 0.0074(6) 0 0 0 Sn3 Sn 0.0089(6) 0.0083(5) 0.0091(7) 0 0 0 Sn4 Sn 0.0084(6) 0.0082(5) 0.0080(6) 0 0 0 Cu1 Cu 0.0068(9) 0.0108(9) 0.0073(11) 0 0 0 Cu2 Cu 0.0101(10) 0.0127(9) 0.0105(12) 0 0 0 Cu3 Cu 0.0138(9) 0.0123(8) 0.0104(9) 0.0014(4) 0 0 Cu4 Cu 0.0065(10) 0.0125(9) 0.0052(10) 0 0 0 Cu5 Cu 0.0132(9) 0.0107(8) 0.0097(9) 0.0006(3) 0 0 Cu6 Cu 0.0110(11) 0.0135(9) 0.0113(11) 0 0 0 Cu7 Cu 0.0111(10) 0.0111(8) 0.0091(11) -0.0005(3) 0 0 Cu8 Cu 0.0145(10) 0.0093(8) 0.0074(10) 0.0003(3) 0 0 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Cu 0.3201 1.2651 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Sn -0.6537 1.4246 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance Sn1 Sn1 1_455 5.5196(2) Sn1 Sn1 1_554 4.3321(2) Sn1 Sn1 1_556 4.3321(2) Sn1 Sn1 1_655 5.5196(2) Sn1 Sn1 10_554 4.7623(9) Sn1 Sn1 10_555 4.7618(9) Sn1 Sn1 10_654 4.7624(9) Sn1 Sn1 10_655 4.7625(9) Sn1 Sn2 1_554 3.8341(5) Sn1 Sn2 . 3.8339(5) Sn1 Sn2 1_654 3.8335(5) Sn1 Sn2 1_655 3.8340(5) Sn1 Sn2 10_554 4.7664(13) Sn1 Sn4 . 4.7587(14) Sn1 Cu2 1_554 5.1391(2) Sn1 Cu2 . 2.76402(15) Sn1 Cu2 1_556 5.1385(2) Sn1 Cu2 1_654 5.1385(2) Sn1 Cu2 1_655 2.76405(15) Sn1 Cu2 1_656 5.1391(2) Sn1 Cu2 10_554 3.7552(17) Sn1 Cu2 10_555 3.7549(17) Sn1 Cu4 . 5.4247(18) Sn1 Cu4 1_655 5.4242(18) Sn1 Cu5 1_554 5.1264(9) Sn1 Cu5 . 2.7404(16) Sn1 Cu5 1_556 5.1258(9) Sn1 Cu5 1_655 4.7830(12) Sn1 Cu5 10_554 2.7101(7) Sn1 Cu5 10_555 2.7098(7) Sn1 Cu5 10_654 4.7375(8) Sn1 Cu5 10_655 4.7379(8) Sn1 Cu5 3_555 4.7826(12) Sn1 Cu5 3_654 5.1262(9) Sn1 Cu5 3_655 2.7406(16) Sn1 Cu5 3_656 5.1262(9) Sn1 Cu5 12_455 4.7378(8) Sn1 Cu5 12_456 4.7373(8) Sn1 Cu5 12_555 2.7099(7) Sn1 Cu5 12_556 2.7101(7) Sn1 Cu6 1_554 2.7607(13) Sn1 Cu6 . 2.7609(13) Sn1 Cu6 10_554 5.6514(19) Sn1 Cu6 10_654 5.6519(19) Sn1 Cu7 1_554 5.1421(9) Sn1 Cu7 . 2.7703(16) Sn1 Cu7 1_556 5.1421(9) Sn1 Cu7 1_655 4.7955(12) Sn1 Cu7 3_555 4.7960(12) Sn1 Cu7 3_654 5.1417(9) Sn1 Cu7 3_655 2.7700(16) Sn1 Cu7 3_656 5.1423(9) Sn1 Cu8 1_554 4.6942(15) Sn1 Cu8 . 4.6943(15) Sn1 Cu8 3_655 4.6938(15) Sn1 Cu8 3_656 4.6943(15) Sn2 Sn2 1_455 5.5196(2) Sn2 Sn2 1_554 4.3321(2) Sn2 Sn2 1_556 4.3321(2) Sn2 Sn2 1_655 5.5196(2) Sn2 Sn3 . 4.7902(14) Sn2 Sn4 1_455 4.7573(9) Sn2 Sn4 1_456 4.7572(9) Sn2 Sn4 . 4.7566(9) Sn2 Sn4 1_556 4.7571(9) Sn2 Cu1 1_455 5.6463(18) Sn2 Cu1 . 5.6458(18) Sn2 Cu2 . 2.7530(13) Sn2 Cu2 1_556 2.7528(13) Sn2 Cu2 10_455 5.3757(18) Sn2 Cu2 10_555 5.3762(18) Sn2 Cu4 . 3.8012(17) Sn2 Cu4 1_556 3.8014(17) Sn2 Cu5 . 4.6907(16) Sn2 Cu5 1_556 4.6906(16) Sn2 Cu5 10_455 4.7911(12) Sn2 Cu5 10_554 5.1342(9) Sn2 Cu5 10_555 2.7555(16) Sn2 Cu5 10_556 5.1342(9) Sn2 Cu5 3_555 4.6906(16) Sn2 Cu5 3_556 4.6902(16) Sn2 Cu5 12_455 5.1343(9) Sn2 Cu5 12_456 2.7552(16) Sn2 Cu5 12_457 5.1337(9) Sn2 Cu5 12_556 4.7915(12) Sn2 Cu6 1_454 5.1394(2) Sn2 Cu6 1_455 2.76478(16) Sn2 Cu6 1_456 5.1389(2) Sn2 Cu6 1_554 5.1389(2) Sn2 Cu6 . 2.76475(16) Sn2 Cu6 1_556 5.1395(2) Sn2 Cu7 1_455 4.7437(8) Sn2 Cu7 1_456 4.7433(8) Sn2 Cu7 . 2.7127(7) Sn2 Cu7 1_556 2.7130(7) Sn2 Cu7 3_555 2.7130(7) Sn2 Cu7 3_556 2.7129(7) Sn2 Cu7 3_655 4.7431(8) Sn2 Cu7 3_656 4.7436(8) Sn2 Cu8 1_455 4.7880(12) Sn2 Cu8 1_554 5.1260(9) Sn2 Cu8 . 2.7408(16) Sn2 Cu8 1_556 5.1266(9) Sn2 Cu8 3_555 5.1265(9) Sn2 Cu8 3_556 2.7411(16) Sn2 Cu8 3_557 5.1265(9) Sn2 Cu8 3_656 4.7876(12) Sn3 Sn3 1_455 5.5196(2) Sn3 Sn3 1_554 4.3321(2) Sn3 Sn3 1_556 4.3321(2) Sn3 Sn3 1_655 5.5196(2) Sn3 Sn3 2_564 3.8859(11) Sn3 Sn3 2_565 3.8862(11) Sn3 Sn4 1_455 3.8468(6) Sn3 Sn4 1_456 3.8463(6) Sn3 Sn4 . 3.8467(6) Sn3 Sn4 1_556 3.8469(6) Sn3 Sn4 2_565 5.5405(12) Sn3 Sn4 2_665 5.5400(12) Sn3 Cu1 1_454 5.1386(2) Sn3 Cu1 1_455 2.76313(14) Sn3 Cu1 1_456 5.1380(2) Sn3 Cu1 1_554 5.1380(2) Sn3 Cu1 . 2.76310(14) Sn3 Cu1 1_556 5.1386(2) Sn3 Cu1 2_564 4.6760(13) Sn3 Cu1 2_565 4.6759(13) Sn3 Cu1 2_664 4.6753(13) Sn3 Cu1 2_665 4.6758(13) Sn3 Cu3 1_455 4.6973(9) Sn3 Cu3 1_456 4.6969(9) Sn3 Cu3 . 2.7361(8) Sn3 Cu3 1_556 2.7364(8) Sn3 Cu3 2_564 5.1464(9) Sn3 Cu3 2_565 2.7781(17) Sn3 Cu3 2_566 5.1463(9) Sn3 Cu3 2_665 4.7212(12) Sn3 Cu3 3_555 2.7364(8) Sn3 Cu3 3_556 2.7362(8) Sn3 Cu3 3_655 4.6967(9) Sn3 Cu3 3_656 4.6972(9) Sn3 Cu3 4_466 4.7217(12) Sn3 Cu3 4_565 5.1459(9) Sn3 Cu3 4_566 2.7778(17) Sn3 Cu3 4_567 5.1465(9) Sn3 Cu4 . 2.7330(13) Sn3 Cu4 1_556 2.7328(13) Sn3 Cu4 2_565 4.893(2) Sn3 Cu6 1_455 5.3852(19) Sn3 Cu6 . 5.3857(19) Sn3 Cu7 . 4.6970(15) Sn3 Cu7 1_556 4.6969(15) Sn3 Cu7 3_555 4.6969(15) Sn3 Cu7 3_556 4.6965(15) Sn3 Cu8 1_455 4.8051(12) Sn3 Cu8 1_554 5.1428(9) Sn3 Cu8 . 2.7716(16) Sn3 Cu8 1_556 5.1428(9) Sn3 Cu8 3_555 5.1430(9) Sn3 Cu8 3_556 2.7713(16) Sn3 Cu8 3_557 5.1424(9) Sn3 Cu8 3_656 4.8055(12) Sn4 Sn4 1_455 5.5196(2) Sn4 Sn4 1_554 4.3321(2) Sn4 Sn4 1_556 4.3321(2) Sn4 Sn4 1_655 5.5196(2) Sn4 Cu1 1_554 2.7614(12) Sn4 Cu1 . 2.7616(12) Sn4 Cu1 2_664 4.669(2) Sn4 Cu2 . 5.6337(18) Sn4 Cu2 1_655 5.6342(18) Sn4 Cu3 1_554 5.1387(9) Sn4 Cu3 . 2.7639(17) Sn4 Cu3 1_556 5.1387(9) Sn4 Cu3 1_655 4.8505(12) Sn4 Cu3 2_664 4.6970(16) Sn4 Cu3 2_665 4.6974(16) Sn4 Cu3 3_555 4.8510(12) Sn4 Cu3 3_654 5.1383(9) Sn4 Cu3 3_655 2.7637(17) Sn4 Cu3 3_656 5.1389(9) Sn4 Cu3 4_565 4.6974(16) Sn4 Cu3 4_566 4.6975(16) Sn4 Cu4 1_554 5.1375(2) Sn4 Cu4 . 2.76122(12) Sn4 Cu4 1_556 5.1370(2) Sn4 Cu4 1_654 5.1370(2) Sn4 Cu4 1_655 2.76124(12) Sn4 Cu4 1_656 5.1375(2) Sn4 Cu6 1_554 3.7385(18) Sn4 Cu6 . 3.7383(18) Sn4 Cu7 1_554 5.1168(9) Sn4 Cu7 . 2.7225(16) Sn4 Cu7 1_556 5.1163(9) Sn4 Cu7 1_655 4.7687(12) Sn4 Cu7 3_555 4.7682(12) Sn4 Cu7 3_654 5.1167(9) Sn4 Cu7 3_655 2.7228(16) Sn4 Cu7 3_656 5.1167(9) Sn4 Cu8 1_554 2.7090(7) Sn4 Cu8 . 2.7086(7) Sn4 Cu8 1_654 4.7321(8) Sn4 Cu8 1_655 4.7325(8) Sn4 Cu8 3_555 4.7324(8) Sn4 Cu8 3_556 4.7319(8) Sn4 Cu8 3_655 2.7088(7) Sn4 Cu8 3_656 2.7090(7) Cu1 Cu1 1_455 5.5196(2) Cu1 Cu1 1_554 4.3321(2) Cu1 Cu1 1_556 4.3321(2) Cu1 Cu1 1_655 5.5196(2) Cu1 Cu1 2_664 3.664(2) Cu1 Cu1 2_665 3.665(2) Cu1 Cu3 . 2.6357(8) Cu1 Cu3 1_556 2.6355(8) Cu1 Cu3 1_655 4.7785(9) Cu1 Cu3 1_656 4.7790(9) Cu1 Cu3 2_565 4.7598(14) Cu1 Cu3 2_664 5.0524(11) Cu1 Cu3 2_665 2.601(2) Cu1 Cu3 2_666 5.0530(11) Cu1 Cu3 3_555 4.7791(9) Cu1 Cu3 3_556 4.7787(9) Cu1 Cu3 3_655 2.6354(8) Cu1 Cu3 3_656 2.6357(8) Cu1 Cu3 4_565 5.0528(11) Cu1 Cu3 4_566 2.601(2) Cu1 Cu3 4_567 5.0528(11) Cu1 Cu3 4_666 4.7594(14) Cu1 Cu4 . 3.9440(12) Cu1 Cu4 1_556 3.9435(12) Cu1 Cu4 1_655 3.9439(12) Cu1 Cu4 1_656 3.9442(12) Cu1 Cu4 2_565 5.500(2) Cu1 Cu4 2_665 5.500(2) Cu1 Cu6 . 4.760(3) Cu1 Cu7 . 4.806(2) Cu1 Cu7 1_556 4.806(2) Cu1 Cu7 3_655 4.806(2) Cu1 Cu7 3_656 4.806(2) Cu1 Cu8 1_554 5.2164(12) Cu1 Cu8 . 2.905(2) Cu1 Cu8 1_556 5.2158(12) Cu1 Cu8 1_655 4.8476(14) Cu1 Cu8 3_556 4.8471(14) Cu1 Cu8 3_655 5.2162(12) Cu1 Cu8 3_656 2.905(2) Cu1 Cu8 3_657 5.2162(12) Cu2 Cu2 1_455 5.5196(2) Cu2 Cu2 1_554 4.3321(2) Cu2 Cu2 1_556 4.3321(2) Cu2 Cu2 1_655 5.5196(2) Cu2 Cu2 10_454 4.5610(16) Cu2 Cu2 10_455 4.5605(16) Cu2 Cu2 10_554 4.5610(16) Cu2 Cu2 10_555 4.5612(16) Cu2 Cu4 . 4.823(3) Cu2 Cu5 1_455 4.6875(14) Cu2 Cu5 1_554 5.0637(11) Cu2 Cu5 . 2.622(2) Cu2 Cu5 1_556 5.0637(11) Cu2 Cu5 10_454 4.7338(9) Cu2 Cu5 10_455 4.7333(9) Cu2 Cu5 10_554 2.6538(8) Cu2 Cu5 10_555 2.6540(8) Cu2 Cu5 3_554 5.0638(11) Cu2 Cu5 3_555 2.622(2) Cu2 Cu5 3_556 5.0633(11) Cu2 Cu5 3_655 4.6879(14) Cu2 Cu5 12_455 2.6540(8) Cu2 Cu5 12_456 2.6536(8) Cu2 Cu5 12_555 4.7335(9) Cu2 Cu5 12_556 4.7339(9) Cu2 Cu6 1_454 3.9733(12) Cu2 Cu6 1_455 3.9731(12) Cu2 Cu6 1_554 3.9727(12) Cu2 Cu6 . 3.9732(12) Cu2 Cu6 10_554 4.779(3) Cu2 Cu7 1_455 4.8603(14) Cu2 Cu7 1_554 5.2195(12) Cu2 Cu7 . 2.912(2) Cu2 Cu7 1_556 5.2200(12) Cu2 Cu7 3_554 5.2199(12) Cu2 Cu7 3_555 2.912(2) Cu2 Cu7 3_556 5.2199(12) Cu2 Cu7 3_655 4.8598(14) Cu2 Cu8 1_554 4.813(2) Cu2 Cu8 . 4.814(2) Cu2 Cu8 3_555 4.814(2) Cu2 Cu8 3_556 4.814(2) Cu3 Cu3 1_455 5.5196(13) Cu3 Cu3 1_554 4.3321(2) Cu3 Cu3 1_556 4.3321(2) Cu3 Cu3 1_655 5.5196(13) Cu3 Cu3 2_564 3.9127(13) Cu3 Cu3 2_565 3.9124(13) Cu3 Cu3 2_664 3.7401(13) Cu3 Cu3 2_665 3.7406(13) Cu3 Cu3 3_554 5.2018(8) Cu3 Cu3 3_555 2.8790(13) Cu3 Cu3 3_556 5.2012(8) Cu3 Cu3 3_654 5.0732(7) Cu3 Cu3 3_655 2.6406(13) Cu3 Cu3 3_656 5.0737(7) Cu3 Cu3 4_565 2.6492(13) Cu3 Cu3 4_566 2.6494(13) Cu3 Cu4 1_554 5.2131(12) Cu3 Cu4 . 2.899(2) Cu3 Cu4 1_556 5.2125(12) Cu3 Cu4 1_655 4.7942(15) Cu3 Cu4 2_564 4.807(2) Cu3 Cu4 2_565 4.807(2) Cu3 Cu7 . 4.780(2) Cu3 Cu7 3_555 5.554(2) Cu3 Cu7 3_655 5.486(2) Cu3 Cu8 1_554 3.9175(18) Cu3 Cu8 . 3.9172(18) Cu3 Cu8 2_564 5.549(2) Cu3 Cu8 2_664 5.505(2) Cu3 Cu8 3_555 4.8166(17) Cu3 Cu8 3_556 4.8161(17) Cu3 Cu8 3_655 4.7665(17) Cu3 Cu8 3_656 4.7666(17) Cu3 Cu8 4_566 4.789(2) Cu4 Cu4 1_455 5.5196(2) Cu4 Cu4 1_554 4.3321(2) Cu4 Cu4 1_556 4.3321(2) Cu4 Cu4 1_655 5.5196(2) Cu4 Cu6 1_454 4.5891(17) Cu4 Cu6 1_455 4.5886(17) Cu4 Cu6 1_554 4.5891(17) Cu4 Cu6 . 4.5893(17) Cu4 Cu7 1_455 4.7104(14) Cu4 Cu7 1_554 5.0810(11) Cu4 Cu7 . 2.655(2) Cu4 Cu7 1_556 5.0810(11) Cu4 Cu7 3_554 5.0812(11) Cu4 Cu7 3_555 2.655(2) Cu4 Cu7 3_556 5.0806(11) Cu4 Cu7 3_655 4.7108(14) Cu4 Cu8 1_454 4.7456(8) Cu4 Cu8 1_455 4.7451(8) Cu4 Cu8 1_554 2.6662(8) Cu4 Cu8 . 2.6664(8) Cu4 Cu8 3_555 2.6664(8) Cu4 Cu8 3_556 2.6660(8) Cu4 Cu8 3_655 4.7453(8) Cu4 Cu8 3_656 4.7457(8) Cu5 Cu5 1_455 5.5196(12) Cu5 Cu5 1_554 4.3321(2) Cu5 Cu5 1_556 4.3321(2) Cu5 Cu5 1_655 5.5196(12) Cu5 Cu5 10_554 2.6514(13) Cu5 Cu5 10_555 2.6515(13) Cu5 Cu5 3_554 5.1496(7) Cu5 Cu5 3_555 2.7836(12) Cu5 Cu5 3_556 5.1491(7) Cu5 Cu5 3_654 5.1234(7) Cu5 Cu5 3_655 2.7360(12) Cu5 Cu5 3_656 5.1240(7) Cu5 Cu5 12_455 3.8273(13) Cu5 Cu5 12_456 3.8270(13) Cu5 Cu5 12_555 3.8267(13) Cu5 Cu5 12_556 3.8272(13) Cu5 Cu6 1_554 4.823(2) Cu5 Cu6 . 4.823(2) Cu5 Cu6 10_553 5.2198(13) Cu5 Cu6 10_554 2.911(2) Cu5 Cu6 10_555 5.2193(13) Cu5 Cu6 10_654 4.8560(15) Cu5 Cu7 . 4.781(2) Cu5 Cu7 10_554 3.9079(18) Cu5 Cu7 10_555 3.9076(18) Cu5 Cu7 3_555 5.531(2) Cu5 Cu7 3_655 5.510(2) Cu5 Cu7 12_455 4.7861(16) Cu5 Cu7 12_456 4.7856(16) Cu5 Cu7 12_555 4.7821(16) Cu5 Cu7 12_556 4.7822(16) Cu5 Cu8 10_554 4.769(2) Cu5 Cu8 12_456 5.524(2) Cu5 Cu8 12_556 5.497(2) Cu6 Cu6 1_455 5.5196(2) Cu6 Cu6 1_554 4.3321(2) Cu6 Cu6 1_556 4.3321(2) Cu6 Cu6 1_655 5.5196(2) Cu6 Cu7 . 2.6564(8) Cu6 Cu7 1_556 2.6562(8) Cu6 Cu7 1_655 4.7306(8) Cu6 Cu7 1_656 4.7311(8) Cu6 Cu7 3_555 4.7312(8) Cu6 Cu7 3_556 4.7307(8) Cu6 Cu7 3_655 2.6561(8) Cu6 Cu7 3_656 2.6564(8) Cu6 Cu8 1_554 5.0605(11) Cu6 Cu8 . 2.616(2) Cu6 Cu8 1_556 5.0605(11) Cu6 Cu8 1_655 4.6792(14) Cu6 Cu8 3_556 4.6796(14) Cu6 Cu8 3_655 5.0601(11) Cu6 Cu8 3_656 2.615(2) Cu6 Cu8 3_657 5.0607(11) Cu7 Cu7 1_455 5.5196(12) Cu7 Cu7 1_554 4.3321(2) Cu7 Cu7 1_556 4.3321(2) Cu7 Cu7 1_655 5.5196(12) Cu7 Cu7 3_554 5.1458(7) Cu7 Cu7 3_555 2.7765(12) Cu7 Cu7 3_556 5.1452(7) Cu7 Cu7 3_654 5.1272(7) Cu7 Cu7 3_655 2.7431(12) Cu7 Cu7 3_656 5.1278(7) Cu7 Cu8 1_554 2.6444(12) Cu7 Cu8 . 2.6446(12) Cu7 Cu8 3_555 3.8169(12) Cu7 Cu8 3_556 3.8166(12) Cu7 Cu8 3_655 3.8274(12) Cu7 Cu8 3_656 3.8279(12) Cu8 Cu8 1_455 5.5196(12) Cu8 Cu8 1_554 4.3321(2) Cu8 Cu8 1_556 4.3321(2) Cu8 Cu8 1_655 5.5196(12) Cu8 Cu8 3_555 5.1196(7) Cu8 Cu8 3_556 2.7277(12) Cu8 Cu8 3_557 5.1190(7) Cu8 Cu8 3_655 5.1535(7) Cu8 Cu8 3_656 2.7919(12) Cu8 Cu8 3_657 5.1541(7)