#------------------------------------------------------------------------------ #$Date: 2017-09-27 13:49:54 +0300 (Wed, 27 Sep 2017) $ #$Revision: 201366 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/07/2310770.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_2310770 loop_ _publ_author_name 'M\"uller, Carola J' 'Lidin, Sven' _publ_section_title ; Cu~3~Sn - understanding the systematic absences. ; _journal_coden_ASTM ACSBDA _journal_coeditor_code DQ5008 _journal_issue 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_sum 'Cu3 Sn' _chemical_formula_weight 309.3 _chemical_name_common 'Cu3 Sn1' _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 20 _cell_length_a 5.5210(2) _cell_length_b 47.781(3) _cell_length_c 4.3340(2) _cell_measurement_reflns_used 780 _cell_measurement_temperature 293 _cell_measurement_theta_max 28.39 _cell_measurement_theta_min 3.41 _cell_volume 1143.30(10) _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 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 0.032 _diffrn_reflns_av_unetI/netI 0.0221 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 62 _diffrn_reflns_limit_k_min -61 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_number 5911 _diffrn_reflns_theta_full 27.94 _diffrn_reflns_theta_max 28.39 _diffrn_reflns_theta_min 3.41 _exptl_absorpt_coefficient_mu 37.873 _exptl_absorpt_correction_T_max 0.7 _exptl_absorpt_correction_T_min 0.372 _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 8.983 _exptl_crystal_description 'trigonal prismatic' _exptl_crystal_F_000 2740 _exptl_crystal_size_max 0.061 _exptl_crystal_size_mid 0.023 _exptl_crystal_size_min 0.017 _refine_diff_density_max 2.22 _refine_diff_density_min -2.36 _refine_ls_extinction_coef 43(13) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.52 _refine_ls_goodness_of_fit_ref 1.17 _refine_ls_number_constraints 0 _refine_ls_number_parameters 72 _refine_ls_number_reflns 851 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0966 _refine_ls_R_factor_gt 0.0382 _refine_ls_shift/su_max 0.0399 _refine_ls_shift/su_mean 0.0079 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details w=1/(\s^2^(I)+0.0035999999I^2^) _refine_ls_weighting_scheme sigma _refine_ls_wR_factor_gt 0.1300 _refine_ls_wR_factor_ref 0.1719 _reflns_number_gt 332 _reflns_number_total 851 _reflns_threshold_expression I>3\s(I) _cod_data_source_file dq5008sup1.cif _cod_data_source_block 473K-superstructure _cod_original_sg_symbol_Hall '-C -2x;-2yc;-2zc' _cod_original_formula_sum 'Cu3 Sn1' _cod_database_code 2310770 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 0.33365(4) 0.25 Uani 0.0061(6) 4 1 d Sn2 Sn 0.5 0.36610(4) -0.25 Uani 0.0074(6) 4 1 d Sn3 Sn 0.5 0.26620(4) -0.25 Uani 0.0043(5) 4 1 d Cu1 Cu 0.2480(3) 0.38408(7) 0.25 Uani 0.0124(11) 8 1 d Cu2 Cu 0.2402(3) 0.48427(7) -0.75 Uani 0.0108(10) 8 1 d Cu3 Cu 0.2521(3) 0.41582(7) -0.25 Uani 0.0135(11) 8 1 d Cu4 Cu 0.2526(3) 0.31614(6) -0.25 Uani 0.0065(10) 8 1 d Cu5 Cu 0.2485(3) 0.28401(6) 0.25 Uani 0.0066(10) 8 1 d Sn4 Sn 0.5 0.46640(4) -0.25 Uani 0.0081(6) 4 1 d Sn5 Sn 0 0.43334(4) -0.75 Uani 0.0089(7) 4 1 d Cu6 Cu 0.5 0.43178(7) -0.75 Uani 0.0079(11) 4 1 d Cu7 Cu 0 0.46921(7) -1.25 Uani 0.0057(10) 4 1 d Cu8 Cu 0 0.36961(7) -0.25 Uani 0.0103(11) 4 1 d Cu9 Cu 0 0.26929(8) -0.25 Uani 0.0089(11) 4 1 d Cu10 Cu -0.5 0.33070(7) 0.25 Uani 0.0078(10) 4 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 0.0046(10) 0.0066(9) 0.0072(12) 0 0 0 Sn2 Sn 0.0076(11) 0.0069(9) 0.0077(13) 0 0 0 Sn3 Sn 0.0046(10) 0.0050(8) 0.0032(11) 0 0 0 Cu1 Cu 0.016(2) 0.0143(16) 0.007(2) 0.0005(7) 0 0 Cu2 Cu 0.0104(17) 0.0128(14) 0.009(2) -0.0015(6) 0 0 Cu3 Cu 0.0142(19) 0.0114(16) 0.015(2) -0.0011(7) 0 0 Cu4 Cu 0.0049(16) 0.0087(14) 0.006(2) -0.0016(6) 0 0 Cu5 Cu 0.0112(18) 0.0008(12) 0.008(2) 0.0002(5) 0 0 Sn4 Sn 0.0078(11) 0.0089(9) 0.0077(12) 0 0 0 Sn5 Sn 0.0092(11) 0.0082(9) 0.0092(13) 0 0 0 Cu6 Cu 0.0038(18) 0.0155(17) 0.004(2) 0 0 0 Cu7 Cu 0.0036(18) 0.0094(16) 0.004(2) 0 0 0 Cu8 Cu 0.010(2) 0.0091(16) 0.011(2) 0 0 0 Cu9 Cu 0.0075(18) 0.0124(15) 0.007(2) 0 0 0 Cu10 Cu 0.0037(17) 0.0121(16) 0.008(2) 0 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 5.5210(4) Sn1 Sn1 1_554 4.3340(4) Sn1 Sn1 1_556 4.3340(4) Sn1 Sn1 1_655 5.5210(4) Sn1 Sn2 1_455 3.8367(11) Sn1 Sn2 1_456 3.8367(11) Sn1 Sn2 . 3.8370(11) Sn1 Sn2 1_556 3.8369(11) Sn1 Sn3 1_455 4.7647(18) Sn1 Sn3 1_456 4.7648(18) Sn1 Sn3 . 4.7643(18) Sn1 Sn3 1_556 4.7644(18) Sn1 Sn3 10_555 4.771(3) Sn1 Cu1 1_455 4.800(2) Sn1 Cu1 1_554 5.1444(19) Sn1 Cu1 . 2.771(3) Sn1 Cu1 1_556 5.1443(19) Sn1 Cu1 3_554 5.1443(19) Sn1 Cu1 3_555 2.771(3) Sn1 Cu1 3_556 5.1442(19) Sn1 Cu1 3_655 4.801(2) Sn1 Cu3 . 4.696(3) Sn1 Cu3 1_556 4.696(3) Sn1 Cu3 3_554 4.696(3) Sn1 Cu3 3_555 4.695(3) Sn1 Cu4 1_455 4.7355(15) Sn1 Cu4 1_456 4.7355(15) Sn1 Cu4 . 2.7091(13) Sn1 Cu4 1_556 2.7092(13) Sn1 Cu4 3_554 2.7092(13) Sn1 Cu4 3_555 2.7093(13) Sn1 Cu4 3_654 4.7353(15) Sn1 Cu4 3_655 4.7353(15) Sn1 Cu5 1_455 4.779(2) Sn1 Cu5 1_554 5.1274(16) Sn1 Cu5 . 2.740(3) Sn1 Cu5 1_556 5.1276(16) Sn1 Cu5 3_554 5.1276(16) Sn1 Cu5 3_555 2.740(3) Sn1 Cu5 3_556 5.1277(16) Sn1 Cu5 3_655 4.779(2) Sn1 Sn5 1_556 4.763(3) Sn1 Cu6 1_456 5.441(3) Sn1 Cu6 1_556 5.441(3) Sn1 Cu8 . 2.765(2) Sn1 Cu8 1_556 2.765(2) Sn1 Cu9 . 3.762(3) Sn1 Cu9 1_556 3.762(3) Sn1 Cu9 10_455 5.640(4) Sn1 Cu9 10_555 5.640(4) Sn1 Cu10 1_554 5.1404(4) Sn1 Cu10 . 2.7641(3) Sn1 Cu10 1_556 5.1404(4) Sn1 Cu10 1_654 5.1404(4) Sn1 Cu10 1_655 2.7641(3) Sn1 Cu10 1_656 5.1404(4) Sn2 Sn2 1_455 5.5210(4) Sn2 Sn2 1_554 4.3340(4) Sn2 Sn2 1_556 4.3340(4) Sn2 Sn2 1_655 5.5210(4) Sn2 Sn3 . 4.773(3) Sn2 Cu1 1_554 2.7146(15) Sn2 Cu1 . 2.7146(15) Sn2 Cu1 1_654 4.7421(16) Sn2 Cu1 1_655 4.7421(16) Sn2 Cu1 3_554 4.7420(16) Sn2 Cu1 3_555 4.7420(16) Sn2 Cu1 3_654 2.7147(15) Sn2 Cu1 3_655 2.7147(15) Sn2 Cu3 1_554 5.1283(18) Sn2 Cu3 . 2.741(3) Sn2 Cu3 1_556 5.1281(18) Sn2 Cu3 1_655 4.784(2) Sn2 Cu3 3_554 4.784(2) Sn2 Cu3 3_653 5.1284(18) Sn2 Cu3 3_654 2.742(3) Sn2 Cu3 3_655 5.1283(18) Sn2 Cu4 1_554 5.1330(17) Sn2 Cu4 . 2.750(3) Sn2 Cu4 1_556 5.1332(17) Sn2 Cu4 1_655 4.792(2) Sn2 Cu4 3_554 4.792(2) Sn2 Cu4 3_653 5.1329(17) Sn2 Cu4 3_654 2.750(3) Sn2 Cu4 3_655 5.1330(17) Sn2 Cu5 1_554 4.691(3) Sn2 Cu5 . 4.692(3) Sn2 Cu5 3_654 4.691(3) Sn2 Cu5 3_655 4.691(3) Sn2 Sn4 . 4.792(3) Sn2 Sn5 . 4.7576(18) Sn2 Sn5 1_556 4.7575(18) Sn2 Sn5 1_655 4.7580(18) Sn2 Sn5 1_656 4.7579(18) Sn2 Cu6 . 3.814(3) Sn2 Cu6 1_556 3.814(3) Sn2 Cu7 1_556 5.647(3) Sn2 Cu7 1_656 5.647(3) Sn2 Cu8 1_554 5.1412(4) Sn2 Cu8 . 2.7655(3) Sn2 Cu8 1_556 5.1412(4) Sn2 Cu8 1_654 5.1412(4) Sn2 Cu8 1_655 2.7656(3) Sn2 Cu8 1_656 5.1412(4) Sn2 Cu9 . 5.387(4) Sn2 Cu9 1_655 5.387(4) Sn2 Cu10 1_654 2.749(2) Sn2 Cu10 1_655 2.749(2) Sn3 Sn3 1_455 5.5210(4) Sn3 Sn3 1_554 4.3340(4) Sn3 Sn3 1_556 4.3340(4) Sn3 Sn3 1_655 5.5210(4) Sn3 Sn3 10_554 3.8360(11) Sn3 Sn3 10_555 3.8360(11) Sn3 Sn3 10_654 3.8357(11) Sn3 Sn3 10_655 3.8358(11) Sn3 Cu4 1_554 5.1327(17) Sn3 Cu4 . 2.750(3) Sn3 Cu4 1_556 5.1325(17) Sn3 Cu4 1_655 4.792(2) Sn3 Cu4 10_554 4.704(3) Sn3 Cu4 10_555 4.704(3) Sn3 Cu4 3_554 4.791(2) Sn3 Cu4 3_653 5.1328(17) Sn3 Cu4 3_654 2.750(3) Sn3 Cu4 3_655 5.1326(17) Sn3 Cu4 12_554 4.703(3) Sn3 Cu4 12_555 4.703(3) Sn3 Cu5 1_554 2.7105(13) Sn3 Cu5 . 2.7105(13) Sn3 Cu5 1_654 4.7435(15) Sn3 Cu5 1_655 4.7434(15) Sn3 Cu5 10_553 5.1404(17) Sn3 Cu5 10_554 2.764(3) Sn3 Cu5 10_555 5.1405(17) Sn3 Cu5 10_654 4.792(2) Sn3 Cu5 3_554 4.7433(15) Sn3 Cu5 3_555 4.7433(15) Sn3 Cu5 3_654 2.7106(13) Sn3 Cu5 3_655 2.7106(13) Sn3 Cu5 12_455 4.793(2) Sn3 Cu5 12_554 5.1402(17) Sn3 Cu5 12_555 2.764(3) Sn3 Cu5 12_556 5.1404(17) Sn3 Cu8 . 5.659(3) Sn3 Cu8 1_655 5.660(3) Sn3 Cu9 1_554 5.1406(4) Sn3 Cu9 . 2.7644(3) Sn3 Cu9 1_556 5.1406(4) Sn3 Cu9 1_654 5.1406(4) Sn3 Cu9 1_655 2.7644(3) Sn3 Cu9 1_656 5.1406(4) Sn3 Cu9 10_554 2.752(3) Sn3 Cu9 10_555 2.752(3) Sn3 Cu10 1_654 3.767(3) Sn3 Cu10 1_655 3.767(3) Sn3 Cu10 10_454 5.391(3) Sn3 Cu10 10_554 5.390(3) Cu1 Cu1 1_455 5.521(2) Cu1 Cu1 1_554 4.3340(4) Cu1 Cu1 1_556 4.3340(4) Cu1 Cu1 1_655 5.521(2) Cu1 Cu1 3_554 5.1265(13) Cu1 Cu1 3_555 2.738(2) Cu1 Cu1 3_556 5.1265(13) Cu1 Cu1 3_654 5.1505(13) Cu1 Cu1 3_655 2.783(2) Cu1 Cu1 3_656 5.1505(13) Cu1 Cu2 1_556 4.787(5) Cu1 Cu2 3_554 5.494(4) Cu1 Cu2 3_654 5.559(4) Cu1 Cu3 . 2.645(3) Cu1 Cu3 1_556 2.645(3) Cu1 Cu3 3_554 3.823(2) Cu1 Cu3 3_555 3.823(2) Cu1 Cu3 3_654 3.823(2) Cu1 Cu3 3_655 3.823(2) Cu1 Cu4 . 3.903(4) Cu1 Cu4 1_556 3.903(4) Cu1 Cu4 3_554 4.782(3) Cu1 Cu4 3_555 4.782(3) Cu1 Cu4 3_654 4.778(3) Cu1 Cu4 3_655 4.778(3) Cu1 Cu5 . 4.781(4) Cu1 Cu5 3_555 5.512(4) Cu1 Cu5 3_655 5.530(4) Cu1 Sn4 . 4.702(3) Cu1 Sn4 1_556 4.701(3) Cu1 Sn5 . 5.1184(19) Cu1 Sn5 1_556 2.723(3) Cu1 Sn5 1_557 5.1183(19) Cu1 Sn5 1_656 4.773(2) Cu1 Cu6 1_456 4.717(3) Cu1 Cu6 . 5.091(2) Cu1 Cu6 1_556 2.671(4) Cu1 Cu6 1_557 5.091(2) Cu1 Cu7 1_556 4.808(4) Cu1 Cu7 1_557 4.808(4) Cu1 Cu8 . 2.6549(15) Cu1 Cu8 1_556 2.6550(15) Cu1 Cu8 1_655 4.7341(16) Cu1 Cu8 1_656 4.7341(16) Cu1 Cu10 . 4.854(3) Cu1 Cu10 1_654 5.218(2) Cu1 Cu10 1_655 2.905(4) Cu1 Cu10 1_656 5.218(2) Cu2 Cu2 1_455 5.521(2) Cu2 Cu2 1_554 4.3340(4) Cu2 Cu2 1_556 4.3340(4) Cu2 Cu2 1_655 5.521(2) Cu2 Cu2 2_564 3.741(3) Cu2 Cu2 2_565 3.740(3) Cu2 Cu2 2_664 3.897(3) Cu2 Cu2 2_665 3.897(3) Cu2 Cu2 3_552 5.0813(13) Cu2 Cu2 3_553 2.653(2) Cu2 Cu2 3_554 5.0813(13) Cu2 Cu2 3_652 5.1972(14) Cu2 Cu2 3_653 2.868(2) Cu2 Cu2 3_654 5.1972(14) Cu2 Cu2 4_563 2.637(3) Cu2 Cu2 4_564 2.637(3) Cu2 Cu3 1_554 3.924(4) Cu2 Cu3 . 3.924(4) Cu2 Cu3 2_564 5.493(4) Cu2 Cu3 2_664 5.536(4) Cu2 Cu3 3_553 4.773(3) Cu2 Cu3 3_554 4.773(3) Cu2 Cu3 3_653 4.821(3) Cu2 Cu3 3_654 4.821(3) Cu2 Cu3 4_564 4.774(5) Cu2 Sn4 1_454 4.7040(17) Cu2 Sn4 1_455 4.7040(17) Cu2 Sn4 1_554 2.7352(15) Cu2 Sn4 . 2.7353(15) Cu2 Sn4 2_564 4.718(2) Cu2 Sn4 2_663 5.1379(19) Cu2 Sn4 2_664 2.759(3) Cu2 Sn4 2_665 5.1378(19) Cu2 Sn5 1_554 5.1444(19) Cu2 Sn5 . 2.772(3) Cu2 Sn5 1_556 5.1445(19) Cu2 Sn5 1_655 4.849(2) Cu2 Sn5 2_564 4.685(3) Cu2 Sn5 2_565 4.685(3) Cu2 Cu6 1_455 4.795(3) Cu2 Cu6 1_554 5.209(2) Cu2 Cu6 . 2.889(4) Cu2 Cu6 1_556 5.209(2) Cu2 Cu6 2_664 4.780(4) Cu2 Cu6 2_665 4.779(4) Cu2 Cu7 . 2.6407(15) Cu2 Cu7 1_556 2.6407(15) Cu2 Cu7 1_655 4.7758(17) Cu2 Cu7 1_656 4.7759(17) Cu2 Cu7 2_564 5.048(2) Cu2 Cu7 2_565 2.588(4) Cu2 Cu7 2_566 5.048(2) Cu2 Cu7 2_665 4.748(3) Cu3 Cu3 1_455 5.521(2) Cu3 Cu3 1_554 4.3340(4) Cu3 Cu3 1_556 4.3340(4) Cu3 Cu3 1_655 5.521(2) Cu3 Cu3 3_553 5.1511(13) Cu3 Cu3 3_554 2.784(2) Cu3 Cu3 3_555 5.1511(13) Cu3 Cu3 3_653 5.1259(13) Cu3 Cu3 3_654 2.737(2) Cu3 Cu3 3_655 5.1259(13) Cu3 Cu4 . 4.763(4) Cu3 Cu4 3_554 5.518(4) Cu3 Cu4 3_654 5.492(4) Cu3 Sn4 1_455 4.804(2) Cu3 Sn4 1_554 5.1476(18) Cu3 Sn4 . 2.777(3) Cu3 Sn4 1_556 5.1475(18) Cu3 Sn5 . 2.7081(14) Cu3 Sn5 1_556 2.7081(14) Cu3 Sn5 1_655 4.7378(16) Cu3 Sn5 1_656 4.7377(16) Cu3 Cu6 1_455 4.7455(16) Cu3 Cu6 1_456 4.7455(16) Cu3 Cu6 . 2.6741(16) Cu3 Cu6 1_556 2.6740(16) Cu3 Cu7 . 5.218(2) Cu3 Cu7 1_556 2.906(4) Cu3 Cu7 1_557 5.218(2) Cu3 Cu7 1_656 4.854(3) Cu3 Cu8 1_554 5.059(2) Cu3 Cu8 . 2.610(4) Cu3 Cu8 1_556 5.059(2) Cu3 Cu8 1_655 4.682(3) Cu3 Cu10 1_654 4.807(4) Cu3 Cu10 1_655 4.807(4) Cu4 Cu4 1_455 5.521(2) Cu4 Cu4 1_554 4.3340(4) Cu4 Cu4 1_556 4.3340(4) Cu4 Cu4 1_655 5.521(2) Cu4 Cu4 3_553 5.1537(12) Cu4 Cu4 3_554 2.789(2) Cu4 Cu4 3_555 5.1537(12) Cu4 Cu4 3_653 5.1233(12) Cu4 Cu4 3_654 2.732(2) Cu4 Cu4 3_655 5.1233(12) Cu4 Cu5 1_554 2.656(2) Cu4 Cu5 . 2.656(2) Cu4 Cu5 10_554 4.786(4) Cu4 Cu5 3_554 3.835(2) Cu4 Cu5 3_555 3.835(2) Cu4 Cu5 3_654 3.826(2) Cu4 Cu5 3_655 3.826(2) Cu4 Cu5 12_455 5.536(4) Cu4 Cu5 12_555 5.513(4) Cu4 Cu8 1_554 5.220(2) Cu4 Cu8 . 2.910(4) Cu4 Cu8 1_556 5.220(2) Cu4 Cu8 1_655 4.853(3) Cu4 Cu9 1_554 5.074(2) Cu4 Cu9 . 2.638(4) Cu4 Cu9 1_556 5.074(2) Cu4 Cu9 1_655 4.695(3) Cu4 Cu9 10_554 4.819(4) Cu4 Cu9 10_555 4.819(4) Cu4 Cu10 1_554 4.7373(15) Cu4 Cu10 . 4.7373(15) Cu4 Cu10 1_654 2.6544(14) Cu4 Cu10 1_655 2.6544(14) Cu5 Cu5 1_455 5.521(2) Cu5 Cu5 1_554 4.3340(4) Cu5 Cu5 1_556 4.3340(4) Cu5 Cu5 1_655 5.521(2) Cu5 Cu5 10_554 3.906(3) Cu5 Cu5 10_555 3.906(3) Cu5 Cu5 3_554 5.1299(12) Cu5 Cu5 3_555 2.745(2) Cu5 Cu5 3_556 5.1299(12) Cu5 Cu5 3_654 5.1471(13) Cu5 Cu5 3_655 2.776(2) Cu5 Cu5 3_656 5.1471(13) Cu5 Cu5 12_455 4.783(3) Cu5 Cu5 12_456 4.784(3) Cu5 Cu5 12_555 4.783(3) Cu5 Cu5 12_556 4.783(3) Cu5 Cu8 . 4.828(4) Cu5 Cu8 1_556 4.827(4) Cu5 Cu9 . 2.6597(15) Cu5 Cu9 1_556 2.6598(15) Cu5 Cu9 1_655 4.7331(16) Cu5 Cu9 1_656 4.7331(16) Cu5 Cu9 10_455 4.855(3) Cu5 Cu9 10_554 5.215(2) Cu5 Cu9 10_555 2.900(4) Cu5 Cu9 10_556 5.215(2) Cu5 Cu10 . 4.696(3) Cu5 Cu10 1_654 5.068(2) Cu5 Cu10 1_655 2.628(4) Cu5 Cu10 1_656 5.068(2) Sn4 Sn4 1_455 5.5210(4) Sn4 Sn4 1_554 4.3340(4) Sn4 Sn4 1_556 4.3340(4) Sn4 Sn4 1_655 5.5210(4) Sn4 Sn4 2_664 3.874(2) Sn4 Sn4 2_665 3.874(2) Sn4 Sn5 . 3.8486(11) Sn4 Sn5 1_556 3.8487(11) Sn4 Sn5 1_655 3.8484(11) Sn4 Sn5 1_656 3.8485(11) Sn4 Sn5 2_565 5.529(2) Sn4 Sn5 2_665 5.529(2) Sn4 Cu6 . 2.726(2) Sn4 Cu6 1_556 2.726(2) Sn4 Cu6 2_665 4.865(4) Sn4 Cu7 . 5.1402(4) Sn4 Cu7 1_556 2.7637(3) Sn4 Cu7 1_557 5.1402(4) Sn4 Cu7 1_655 5.1402(4) Sn4 Cu7 1_656 2.7638(3) Sn4 Cu7 1_657 5.1402(4) Sn4 Cu7 2_565 4.667(2) Sn4 Cu7 2_566 4.667(2) Sn4 Cu7 2_665 4.668(2) Sn4 Cu7 2_666 4.667(2) Sn4 Cu8 . 5.386(3) Sn4 Cu8 1_655 5.386(3) Sn5 Sn5 1_455 5.5210(4) Sn5 Sn5 1_554 4.3340(4) Sn5 Sn5 1_556 4.3340(4) Sn5 Sn5 1_655 5.5210(4) Sn5 Cu6 1_454 5.1390(4) Sn5 Cu6 1_455 2.7615(2) Sn5 Cu6 1_456 5.1390(4) Sn5 Cu6 1_554 5.1390(4) Sn5 Cu6 . 2.7615(2) Sn5 Cu6 1_556 5.1390(4) Sn5 Cu7 . 2.763(2) Sn5 Cu7 1_556 2.763(2) Sn5 Cu7 2_565 4.656(4) Sn5 Cu8 1_554 3.737(3) Sn5 Cu8 . 3.738(3) Sn5 Cu10 1_554 5.628(3) Sn5 Cu10 1_654 5.628(3) Cu6 Cu6 1_455 5.5210(4) Cu6 Cu6 1_554 4.3340(4) Cu6 Cu6 1_556 4.3340(4) Cu6 Cu6 1_655 5.5210(4) Cu6 Cu7 . 3.939(2) Cu6 Cu7 1_556 3.939(2) Cu6 Cu7 1_655 3.939(2) Cu6 Cu7 1_656 3.939(2) Cu6 Cu7 2_565 5.477(4) Cu6 Cu7 2_665 5.478(4) Cu6 Cu8 1_554 4.598(3) Cu6 Cu8 . 4.598(3) Cu6 Cu8 1_654 4.598(3) Cu6 Cu8 1_655 4.598(3) Cu6 Cu10 1_654 4.830(5) Cu7 Cu7 1_455 5.5210(4) Cu7 Cu7 1_554 4.3340(4) Cu7 Cu7 1_556 4.3340(4) Cu7 Cu7 1_655 5.5210(4) Cu7 Cu7 2_564 3.655(4) Cu7 Cu7 2_565 3.654(4) Cu7 Cu8 1_554 4.759(5) Cu8 Cu8 1_455 5.5210(4) Cu8 Cu8 1_554 4.3340(4) Cu8 Cu8 1_556 4.3340(4) Cu8 Cu8 1_655 5.5210(4) Cu8 Cu9 . 4.793(5) Cu8 Cu10 1_554 3.972(2) Cu8 Cu10 . 3.972(2) Cu8 Cu10 1_654 3.971(2) Cu8 Cu10 1_655 3.971(2) Cu9 Cu9 1_455 5.5210(4) Cu9 Cu9 1_554 4.3340(4) Cu9 Cu9 1_556 4.3340(4) Cu9 Cu9 1_655 5.5210(4) Cu9 Cu9 10_454 3.964(2) Cu9 Cu9 10_455 3.964(2) Cu9 Cu9 10_554 3.964(2) Cu9 Cu9 10_555 3.964(2) Cu9 Cu10 1_554 4.574(3) Cu9 Cu10 . 4.574(3) Cu9 Cu10 1_654 4.575(3) Cu9 Cu10 1_655 4.575(3) Cu9 Cu10 10_454 4.777(5) Cu10 Cu10 1_455 5.5210(4) Cu10 Cu10 1_554 4.3340(4) Cu10 Cu10 1_556 4.3340(4) Cu10 Cu10 1_655 5.5210(4)