#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/07/2310773.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_2310773 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 5.5184(2) _cell_length_b 38.2337(15) _cell_length_c 4.3326(2) _cell_measurement_reflns_used 1730 _cell_measurement_temperature 293 _cell_measurement_theta_max 28.28 _cell_measurement_theta_min 3.73 _cell_volume 914.13(6) _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 0.95 _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 0.0255 _diffrn_reflns_av_unetI/netI 0.0118 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 49 _diffrn_reflns_limit_k_min -48 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_number 5405 _diffrn_reflns_theta_full 27.66 _diffrn_reflns_theta_max 28.28 _diffrn_reflns_theta_min 3.73 _exptl_absorpt_coefficient_mu 37.894 _exptl_absorpt_correction_T_max 0.434 _exptl_absorpt_correction_T_min 0.199 _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 grey' _exptl_crystal_density_diffrn 8.9881 _exptl_crystal_description 'trigonal primatic' _exptl_crystal_F_000 2192 _exptl_crystal_size_max 0.096 _exptl_crystal_size_mid 0.065 _exptl_crystal_size_min 0.04 _refine_diff_density_max 1.55 _refine_diff_density_min -1.60 _refine_ls_extinction_coef 570(12) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.48 _refine_ls_goodness_of_fit_ref 1.26 _refine_ls_number_constraints 0 _refine_ls_number_parameters 58 _refine_ls_number_reflns 673 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0394 _refine_ls_R_factor_gt 0.0224 _refine_ls_shift/su_max 0.0325 _refine_ls_shift/su_mean 0.0106 _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 0.0538 _refine_ls_wR_factor_ref 0.0632 _reflns_number_gt 384 _reflns_number_total 673 _reflns_threshold_expression I>3\s(I) _cod_data_source_file dq5008sup1.cif _cod_data_source_block 723K-superstructure _cod_original_sg_symbol_Hall '-C -2x;-2yc;-2zc' _cod_chemical_formula_sum_orig 'Cu3 Sn1' _cod_database_code 2310773 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 0.292227(17) 0.25 Uani 0.0095(2) 4 1 d Sn2 Sn 0 0.332569(16) 0.75 Uani 0.0089(2) 4 1 d Sn3 Sn 0 0.457737(17) 0.75 Uani 0.0095(2) 4 1 d Sn4 Sn 0.5 0.416506(17) 0.25 Uani 0.0093(2) 4 1 d Cu1 Cu 0.5 0.46133(3) 0.75 Uani 0.0125(4) 4 1 d Cu2 Cu 0 0.28840(3) 0.25 Uani 0.0134(4) 4 1 d Cu3 Cu 0.26168(12) 0.48009(3) 0.25 Uani 0.0132(3) 8 1 d Cu4 Cu 0 0.41409(3) 0.25 Uani 0.0114(4) 4 1 d Cu5 Cu 0.25213(11) 0.23017(3) 0.25 Uani 0.0116(3) 8 1 d Cu6 Cu 0.5 0.33679(4) 0.75 Uani 0.0124(4) 4 1 d Cu7 Cu 0.25115(10) 0.35503(3) 0.25 Uani 0.0132(4) 8 1 d Cu8 Cu 0.24682(10) 0.39476(3) 0.75 Uani 0.0124(4) 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 0.0082(4) 0.0093(4) 0.0109(4) 0 0 0 Sn2 Sn 0.0076(4) 0.0096(4) 0.0095(4) 0 0 0 Sn3 Sn 0.0081(4) 0.0092(4) 0.0113(4) 0 0 0 Sn4 Sn 0.0084(4) 0.0088(4) 0.0106(4) 0 0 0 Cu1 Cu 0.0096(7) 0.0154(7) 0.0124(7) 0 0 0 Cu2 Cu 0.0117(7) 0.0152(7) 0.0132(7) 0 0 0 Cu3 Cu 0.0137(6) 0.0123(5) 0.0137(6) 0.0012(3) 0 0 Cu4 Cu 0.0097(7) 0.0137(6) 0.0106(7) 0 0 0 Cu5 Cu 0.0121(6) 0.0126(5) 0.0102(6) 0.0005(2) 0 0 Cu6 Cu 0.0096(7) 0.0158(6) 0.0119(7) 0 0 0 Cu7 Cu 0.0138(8) 0.0132(6) 0.0124(7) -0.0002(2) 0 0 Cu8 Cu 0.0140(7) 0.0123(6) 0.0109(7) 0.0004(2) 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 5.5184(4) Sn1 Sn1 1_554 4.3326(4) Sn1 Sn1 1_556 4.3326(4) Sn1 Sn1 1_655 5.5184(4) Sn1 Sn1 10_554 4.7679(7) Sn1 Sn1 10_555 4.7679(7) Sn1 Sn1 10_654 4.7679(7) Sn1 Sn1 10_655 4.7679(7) Sn1 Sn2 1_554 3.8321(4) Sn1 Sn2 . 3.8321(4) Sn1 Sn2 1_654 3.8321(4) Sn1 Sn2 1_655 3.8321(4) Sn1 Sn2 10_554 4.7714(10) Sn1 Sn4 . 4.7516(10) Sn1 Cu2 1_554 5.1387(4) Sn1 Cu2 . 2.7631(2) Sn1 Cu2 1_556 5.1387(4) Sn1 Cu2 1_654 5.1387(4) Sn1 Cu2 1_655 2.7631(2) Sn1 Cu2 1_656 5.1387(4) Sn1 Cu2 10_554 3.7677(12) Sn1 Cu2 10_555 3.7677(12) Sn1 Cu4 . 5.4150(13) Sn1 Cu4 1_655 5.4150(13) Sn1 Cu5 1_554 5.1257(7) Sn1 Cu5 . 2.7389(12) Sn1 Cu5 1_556 5.1257(7) Sn1 Cu5 1_655 4.7809(9) Sn1 Cu5 10_554 2.7133(5) Sn1 Cu5 10_555 2.7133(5) Sn1 Cu5 10_654 4.7390(6) Sn1 Cu5 10_655 4.7390(6) Sn1 Cu5 3_555 4.7809(9) Sn1 Cu5 3_654 5.1257(7) Sn1 Cu5 3_655 2.7389(12) Sn1 Cu5 3_656 5.1257(7) Sn1 Cu5 12_455 4.7390(6) Sn1 Cu5 12_456 4.7390(6) Sn1 Cu5 12_555 2.7133(5) Sn1 Cu5 12_556 2.7133(5) Sn1 Cu6 1_554 2.7561(9) Sn1 Cu6 . 2.7561(9) Sn1 Cu6 10_554 5.6521(13) Sn1 Cu6 10_654 5.6521(13) Sn1 Cu7 1_554 5.1403(7) Sn1 Cu7 . 2.7662(12) Sn1 Cu7 1_556 5.1403(7) Sn1 Cu7 1_655 4.7904(9) Sn1 Cu7 3_555 4.7904(9) Sn1 Cu7 3_654 5.1403(7) Sn1 Cu7 3_655 2.7662(12) Sn1 Cu7 3_656 5.1403(7) Sn1 Cu8 1_554 4.6918(11) Sn1 Cu8 . 4.6918(11) Sn1 Cu8 3_655 4.6918(11) Sn1 Cu8 3_656 4.6918(11) Sn2 Sn2 1_455 5.5184(4) Sn2 Sn2 1_554 4.3326(4) Sn2 Sn2 1_556 4.3326(4) Sn2 Sn2 1_655 5.5184(4) Sn2 Sn3 . 4.7856(10) Sn2 Sn4 1_455 4.7545(6) Sn2 Sn4 1_456 4.7545(6) Sn2 Sn4 . 4.7545(6) Sn2 Sn4 1_556 4.7545(6) Sn2 Cu1 1_455 5.6436(13) Sn2 Cu1 . 5.6436(13) Sn2 Cu2 . 2.7468(9) Sn2 Cu2 1_556 2.7468(9) Sn2 Cu2 10_455 5.3855(12) Sn2 Cu2 10_555 5.3855(12) Sn2 Cu4 . 3.7958(12) Sn2 Cu4 1_556 3.7958(12) Sn2 Cu5 . 4.6859(12) Sn2 Cu5 1_556 4.6859(12) Sn2 Cu5 10_455 4.7938(9) Sn2 Cu5 10_554 5.1377(7) Sn2 Cu5 10_555 2.7612(12) Sn2 Cu5 10_556 5.1377(7) Sn2 Cu5 3_555 4.6859(12) Sn2 Cu5 3_556 4.6859(12) Sn2 Cu5 12_455 5.1377(7) Sn2 Cu5 12_456 2.7612(12) Sn2 Cu5 12_457 5.1377(7) Sn2 Cu5 12_556 4.7938(9) Sn2 Cu6 1_454 5.1391(4) Sn2 Cu6 1_455 2.7639(2) Sn2 Cu6 1_456 5.1391(4) Sn2 Cu6 1_554 5.1391(4) Sn2 Cu6 . 2.7639(2) Sn2 Cu6 1_556 5.1391(4) Sn2 Cu7 1_455 4.7442(6) Sn2 Cu7 1_456 4.7442(6) Sn2 Cu7 . 2.7113(5) Sn2 Cu7 1_556 2.7113(5) Sn2 Cu7 3_555 2.7113(5) Sn2 Cu7 3_556 2.7113(5) Sn2 Cu7 3_655 4.7442(6) Sn2 Cu7 3_656 4.7442(6) Sn2 Cu8 1_455 4.7884(8) Sn2 Cu8 1_554 5.1265(7) Sn2 Cu8 . 2.7403(11) Sn2 Cu8 1_556 5.1265(7) Sn2 Cu8 3_555 5.1265(7) Sn2 Cu8 3_556 2.7403(11) Sn2 Cu8 3_557 5.1265(7) Sn2 Cu8 3_656 4.7884(8) Sn3 Sn3 1_455 5.5184(4) Sn3 Sn3 1_554 4.3326(4) Sn3 Sn3 1_556 4.3326(4) Sn3 Sn3 1_655 5.5184(4) Sn3 Sn3 2_564 3.8906(8) Sn3 Sn3 2_565 3.8906(8) Sn3 Sn4 1_455 3.8459(4) Sn3 Sn4 1_456 3.8459(4) Sn3 Sn4 . 3.8459(4) Sn3 Sn4 1_556 3.8459(4) Sn3 Sn4 2_565 5.5436(9) Sn3 Sn4 2_665 5.5436(9) Sn3 Cu1 1_454 5.1384(4) Sn3 Cu1 1_455 2.7626(2) Sn3 Cu1 1_456 5.1384(4) Sn3 Cu1 1_554 5.1384(4) Sn3 Cu1 . 2.7626(2) Sn3 Cu1 1_556 5.1384(4) Sn3 Cu1 2_564 4.6777(10) Sn3 Cu1 2_565 4.6777(10) Sn3 Cu1 2_664 4.6777(10) Sn3 Cu1 2_665 4.6777(10) Sn3 Cu3 1_455 4.6929(7) Sn3 Cu3 1_456 4.6929(7) Sn3 Cu3 . 2.7402(6) Sn3 Cu3 1_556 2.7402(6) Sn3 Cu3 2_564 5.1484(7) Sn3 Cu3 2_565 2.7812(12) Sn3 Cu3 2_566 5.1484(7) Sn3 Cu3 2_665 4.7170(9) Sn3 Cu3 3_555 2.7402(6) Sn3 Cu3 3_556 2.7402(6) Sn3 Cu3 3_655 4.6929(7) Sn3 Cu3 3_656 4.6929(7) Sn3 Cu3 4_466 4.7170(9) Sn3 Cu3 4_565 5.1484(7) Sn3 Cu3 4_566 2.7812(12) Sn3 Cu3 4_567 5.1484(7) Sn3 Cu4 . 2.7345(9) Sn3 Cu4 1_556 2.7345(9) Sn3 Cu4 2_565 4.9005(15) Sn3 Cu6 1_455 5.3848(13) Sn3 Cu6 . 5.3848(13) Sn3 Cu7 . 4.6940(11) Sn3 Cu7 1_556 4.6940(11) Sn3 Cu7 3_555 4.6940(11) Sn3 Cu7 3_556 4.6940(11) Sn3 Cu8 1_455 4.8034(9) Sn3 Cu8 1_554 5.1405(7) Sn3 Cu8 . 2.7664(12) Sn3 Cu8 1_556 5.1405(7) Sn3 Cu8 3_555 5.1405(7) Sn3 Cu8 3_556 2.7664(12) Sn3 Cu8 3_557 5.1405(7) Sn3 Cu8 3_656 4.8034(9) Sn4 Sn4 1_455 5.5184(4) Sn4 Sn4 1_554 4.3326(4) Sn4 Sn4 1_556 4.3326(4) Sn4 Sn4 1_655 5.5184(4) Sn4 Cu1 1_554 2.7623(9) Sn4 Cu1 . 2.7623(9) Sn4 Cu1 2_664 4.6707(15) Sn4 Cu2 . 5.6217(13) Sn4 Cu2 1_655 5.6217(13) Sn4 Cu3 1_554 5.1393(7) Sn4 Cu3 . 2.7641(12) Sn4 Cu3 1_556 5.1393(7) Sn4 Cu3 1_655 4.8558(9) Sn4 Cu3 2_664 4.6959(12) Sn4 Cu3 2_665 4.6959(12) Sn4 Cu3 3_555 4.8558(9) Sn4 Cu3 3_654 5.1393(7) Sn4 Cu3 3_655 2.7641(12) Sn4 Cu3 3_656 5.1393(7) Sn4 Cu3 4_565 4.6959(12) Sn4 Cu3 4_566 4.6959(12) Sn4 Cu4 1_554 5.1374(4) Sn4 Cu4 . 2.7607(2) Sn4 Cu4 1_556 5.1374(4) Sn4 Cu4 1_654 5.1374(4) Sn4 Cu4 1_655 2.7607(2) Sn4 Cu4 1_656 5.1374(4) Sn4 Cu6 1_554 3.7392(12) Sn4 Cu6 . 3.7392(12) Sn4 Cu7 1_554 5.1168(7) Sn4 Cu7 . 2.7222(12) Sn4 Cu7 1_556 5.1168(7) Sn4 Cu7 1_655 4.7652(9) Sn4 Cu7 3_555 4.7652(9) Sn4 Cu7 3_654 5.1168(7) Sn4 Cu7 3_655 2.7222(12) Sn4 Cu7 3_656 5.1168(7) Sn4 Cu8 1_554 2.7085(5) Sn4 Cu8 . 2.7085(5) Sn4 Cu8 1_654 4.7296(6) Sn4 Cu8 1_655 4.7296(6) Sn4 Cu8 3_555 4.7296(6) Sn4 Cu8 3_556 4.7296(6) Sn4 Cu8 3_655 2.7085(5) Sn4 Cu8 3_656 2.7085(5) Cu1 Cu1 1_455 5.5184(4) Cu1 Cu1 1_554 4.3326(4) Cu1 Cu1 1_556 4.3326(4) Cu1 Cu1 1_655 5.5184(4) Cu1 Cu1 2_664 3.6655(15) Cu1 Cu1 2_665 3.6655(15) Cu1 Cu3 . 2.6338(6) Cu1 Cu3 1_556 2.6338(6) Cu1 Cu3 1_655 4.7828(7) Cu1 Cu3 1_656 4.7828(7) Cu1 Cu3 2_565 4.7626(10) Cu1 Cu3 2_664 5.0514(9) Cu1 Cu3 2_665 2.5971(15) Cu1 Cu3 2_666 5.0514(9) Cu1 Cu3 3_555 4.7828(7) Cu1 Cu3 3_556 4.7828(7) Cu1 Cu3 3_655 2.6338(6) Cu1 Cu3 3_656 2.6338(6) Cu1 Cu3 4_565 5.0514(9) Cu1 Cu3 4_566 2.5971(15) Cu1 Cu3 4_567 5.0514(9) Cu1 Cu3 4_666 4.7626(10) Cu1 Cu4 . 3.9457(8) Cu1 Cu4 1_556 3.9457(8) Cu1 Cu4 1_655 3.9457(8) Cu1 Cu4 1_656 3.9457(8) Cu1 Cu4 2_565 5.5045(16) Cu1 Cu4 2_665 5.5045(16) Cu1 Cu6 . 4.7616(19) Cu1 Cu7 . 4.8060(15) Cu1 Cu7 1_556 4.8060(15) Cu1 Cu7 3_655 4.8060(15) Cu1 Cu7 3_656 4.8060(15) Cu1 Cu8 1_554 5.2155(9) Cu1 Cu8 . 2.9035(15) Cu1 Cu8 1_556 5.2155(9) Cu1 Cu8 1_655 4.8439(10) Cu1 Cu8 3_556 4.8439(10) Cu1 Cu8 3_655 5.2155(9) Cu1 Cu8 3_656 2.9035(15) Cu1 Cu8 3_657 5.2155(9) Cu2 Cu2 1_455 5.5184(4) Cu2 Cu2 1_554 4.3326(4) Cu2 Cu2 1_556 4.3326(4) Cu2 Cu2 1_655 5.5184(4) Cu2 Cu2 10_454 4.5746(11) Cu2 Cu2 10_455 4.5746(11) Cu2 Cu2 10_554 4.5746(11) Cu2 Cu2 10_555 4.5746(11) Cu2 Cu4 . 4.8057(18) Cu2 Cu5 1_455 4.6893(10) Cu2 Cu5 1_554 5.0660(8) Cu2 Cu5 . 2.6254(15) Cu2 Cu5 1_556 5.0660(8) Cu2 Cu5 10_454 4.7354(6) Cu2 Cu5 10_455 4.7354(6) Cu2 Cu5 10_554 2.6585(6) Cu2 Cu5 10_555 2.6585(6) Cu2 Cu5 3_554 5.0660(8) Cu2 Cu5 3_555 2.6254(15) Cu2 Cu5 3_556 5.0660(8) Cu2 Cu5 3_655 4.6893(10) Cu2 Cu5 12_455 2.6585(6) Cu2 Cu5 12_456 2.6585(6) Cu2 Cu5 12_555 4.7354(6) Cu2 Cu5 12_556 4.7354(6) Cu2 Cu6 1_454 3.9661(9) Cu2 Cu6 1_455 3.9661(9) Cu2 Cu6 1_554 3.9661(9) Cu2 Cu6 . 3.9661(9) Cu2 Cu6 10_554 4.7865(19) Cu2 Cu7 1_455 4.8546(10) Cu2 Cu7 1_554 5.2137(9) Cu2 Cu7 . 2.9002(15) Cu2 Cu7 1_556 5.2137(9) Cu2 Cu7 3_554 5.2137(9) Cu2 Cu7 3_555 2.9002(15) Cu2 Cu7 3_556 5.2137(9) Cu2 Cu7 3_655 4.8546(10) Cu2 Cu8 1_554 4.8047(14) Cu2 Cu8 . 4.8047(14) Cu2 Cu8 3_555 4.8047(14) Cu2 Cu8 3_556 4.8047(14) Cu3 Cu3 1_455 5.5184(10) Cu3 Cu3 1_554 4.3326(4) Cu3 Cu3 1_556 4.3326(4) Cu3 Cu3 1_655 5.5184(10) Cu3 Cu3 2_564 3.9180(9) Cu3 Cu3 2_565 3.9180(9) Cu3 Cu3 2_664 3.7320(9) Cu3 Cu3 2_665 3.7320(9) Cu3 Cu3 3_554 5.2070(6) Cu3 Cu3 3_555 2.8881(9) Cu3 Cu3 3_556 5.2070(6) Cu3 Cu3 3_654 5.0685(6) Cu3 Cu3 3_655 2.6303(9) Cu3 Cu3 3_656 5.0685(6) Cu3 Cu3 4_565 2.6476(10) Cu3 Cu3 4_566 2.6476(10) Cu3 Cu4 1_554 5.2178(9) Cu3 Cu4 . 2.9075(15) Cu3 Cu4 1_556 5.2178(9) Cu3 Cu4 1_655 4.7926(11) Cu3 Cu4 2_564 4.8110(15) Cu3 Cu4 2_565 4.8110(15) Cu3 Cu7 . 4.7821(17) Cu3 Cu7 3_555 5.5564(15) Cu3 Cu7 3_655 5.4856(15) Cu3 Cu8 1_554 3.9172(14) Cu3 Cu8 . 3.9172(14) Cu3 Cu8 2_564 5.5469(15) Cu3 Cu8 2_664 5.5000(15) Cu3 Cu8 3_555 4.8179(12) Cu3 Cu8 3_556 4.8179(12) Cu3 Cu8 3_655 4.7638(12) Cu3 Cu8 3_656 4.7638(12) Cu3 Cu8 4_566 4.7855(17) Cu4 Cu4 1_455 5.5184(4) Cu4 Cu4 1_554 4.3326(4) Cu4 Cu4 1_556 4.3326(4) Cu4 Cu4 1_655 5.5184(4) Cu4 Cu6 1_454 4.5870(12) Cu4 Cu6 1_455 4.5870(12) Cu4 Cu6 1_554 4.5870(12) Cu4 Cu6 . 4.5870(12) Cu4 Cu7 1_455 4.7092(10) Cu4 Cu7 1_554 5.0785(9) Cu4 Cu7 . 2.6495(15) Cu4 Cu7 1_556 5.0785(9) Cu4 Cu7 3_554 5.0785(9) Cu4 Cu7 3_555 2.6495(15) Cu4 Cu7 3_556 5.0785(9) Cu4 Cu7 3_655 4.7092(10) Cu4 Cu8 1_454 4.7449(6) Cu4 Cu8 1_455 4.7449(6) Cu4 Cu8 1_554 2.6635(6) Cu4 Cu8 . 2.6635(6) Cu4 Cu8 3_555 2.6635(6) Cu4 Cu8 3_556 2.6635(6) Cu4 Cu8 3_655 4.7449(6) Cu4 Cu8 3_656 4.7449(6) Cu5 Cu5 1_455 5.5184(9) Cu5 Cu5 1_554 4.3326(4) Cu5 Cu5 1_556 4.3326(4) Cu5 Cu5 1_655 5.5184(9) Cu5 Cu5 10_554 2.6446(10) Cu5 Cu5 10_555 2.6446(10) Cu5 Cu5 3_554 5.1493(6) Cu5 Cu5 3_555 2.7827(8) Cu5 Cu5 3_556 5.1493(6) Cu5 Cu5 3_654 5.1240(6) Cu5 Cu5 3_655 2.7357(8) Cu5 Cu5 3_656 5.1240(6) Cu5 Cu5 12_455 3.8218(9) Cu5 Cu5 12_456 3.8218(9) Cu5 Cu5 12_555 3.8218(9) Cu5 Cu5 12_556 3.8218(9) Cu5 Cu6 1_554 4.8149(15) Cu5 Cu6 . 4.8149(15) Cu5 Cu6 10_553 5.2212(10) Cu5 Cu6 10_554 2.9137(16) Cu5 Cu6 10_555 5.2212(10) Cu5 Cu6 10_654 4.8566(11) Cu5 Cu7 . 4.7740(17) Cu5 Cu7 10_554 3.9120(14) Cu5 Cu7 10_555 3.9120(14) Cu5 Cu7 3_555 5.5231(15) Cu5 Cu7 3_655 5.5050(15) Cu5 Cu7 12_455 4.7902(12) Cu5 Cu7 12_456 4.7902(12) Cu5 Cu7 12_555 4.7840(12) Cu5 Cu7 12_556 4.7840(12) Cu5 Cu8 10_554 4.7764(17) Cu5 Cu8 12_456 5.5308(15) Cu5 Cu8 12_556 5.5015(15) Cu6 Cu6 1_455 5.5184(4) Cu6 Cu6 1_554 4.3326(4) Cu6 Cu6 1_556 4.3326(4) Cu6 Cu6 1_655 5.5184(4) Cu6 Cu7 . 2.6580(6) Cu6 Cu7 1_556 2.6580(6) Cu6 Cu7 1_655 4.7288(6) Cu6 Cu7 1_656 4.7288(6) Cu6 Cu7 3_555 4.7288(6) Cu6 Cu7 3_556 4.7288(6) Cu6 Cu7 3_655 2.6580(6) Cu6 Cu7 3_656 2.6580(6) Cu6 Cu8 1_554 5.0632(9) Cu6 Cu8 . 2.6199(15) Cu6 Cu8 1_556 5.0632(9) Cu6 Cu8 1_655 4.6794(10) Cu6 Cu8 3_556 4.6794(10) Cu6 Cu8 3_655 5.0632(9) Cu6 Cu8 3_656 2.6199(15) Cu6 Cu8 3_657 5.0632(9) Cu7 Cu7 1_455 5.5184(9) Cu7 Cu7 1_554 4.3326(4) Cu7 Cu7 1_556 4.3326(4) Cu7 Cu7 1_655 5.5184(9) Cu7 Cu7 3_554 5.1434(6) Cu7 Cu7 3_555 2.7718(8) Cu7 Cu7 3_556 5.1434(6) Cu7 Cu7 3_654 5.1298(6) Cu7 Cu7 3_655 2.7466(8) Cu7 Cu7 3_656 5.1298(6) Cu7 Cu8 1_554 2.6459(9) Cu7 Cu8 . 2.6459(9) Cu7 Cu8 3_555 3.8147(9) Cu7 Cu8 3_556 3.8147(9) Cu7 Cu8 3_655 3.8309(9) Cu7 Cu8 3_656 3.8309(9) Cu8 Cu8 1_455 5.5184(9) Cu8 Cu8 1_554 4.3326(4) Cu8 Cu8 1_556 4.3326(4) Cu8 Cu8 1_655 5.5184(9) Cu8 Cu8 3_555 5.1179(6) Cu8 Cu8 3_556 2.7241(8) Cu8 Cu8 3_557 5.1179(6) Cu8 Cu8 3_655 5.1555(6) Cu8 Cu8 3_656 2.7943(8) Cu8 Cu8 3_657 5.1555(6)