#------------------------------------------------------------------------------ #$Date: 2014-03-11 17:06:47 +0200 (Tue, 11 Mar 2014) $ #$Revision: 104795 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/01/94/2019430.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2019430 loop_ _publ_author_name 'Makongo, Julien P. A.' 'Bobev, Svilen' _publ_section_title ; The series RE~5~Li~2~Sn~7~ (RE = Ce, Pr, Nd, Sm) revisited: crystal structure of RE~5~Li~2{-~x}Sn~7+x~ [0 {\/leq} x {\/leq} 0.03(1)] ; _journal_coeditor_code KU3114 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 2 _journal_page_last 6 _journal_paper_doi 10.1107/S2053229613029604 _journal_volume 70 _journal_year 2014 _chemical_formula_iupac 'Nd5 Li1.99 Sn7.01' _chemical_formula_moiety 'Nd5 Li1.99 Sn7.01' _chemical_formula_sum 'Li1.99 Nd5 Sn7.01' _chemical_formula_weight 1567.03 _chemical_name_systematic ; Pentaneodymium dilithium heptastannide ; _space_group_IT_number 19 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 6.2109(6) _cell_length_b 13.6894(14) _cell_length_c 17.2868(17) _cell_measurement_reflns_used 1018 _cell_measurement_temperature 200(2) _cell_measurement_theta_max 28.26 _cell_measurement_theta_min 3.79 _cell_volume 1469.8(3) _computing_cell_refinement 'SMART (Bruker, 2002)' _computing_data_collection 'SMART (Bruker, 2002)' _computing_data_reduction 'SAINT (Bruker, 2002)' _computing_molecular_graphics 'DIAMOND (Brandenburg, 2006)' _computing_publication_material 'SHELXTL (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_structure_solution 'SIR92 (Altomare et al., 1999)' _diffrn_ambient_temperature 200(2) _diffrn_measured_fraction_theta_full 0.943 _diffrn_measured_fraction_theta_max 0.943 _diffrn_measurement_device_type 'Bruker SMART APEX CCD' _diffrn_measurement_method \w _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0294 _diffrn_reflns_av_sigmaI/netI 0.0282 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 9538 _diffrn_reflns_theta_full 27.49 _diffrn_reflns_theta_max 27.49 _diffrn_reflns_theta_min 1.90 _exptl_absorpt_coefficient_mu 28.939 _exptl_absorpt_correction_T_max 0.5953 _exptl_absorpt_correction_T_min 0.2549 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS; Sheldrick, 2008)' _exptl_crystal_colour silver _exptl_crystal_density_diffrn 7.082 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 2626 _exptl_crystal_size_max 0.07 _exptl_crystal_size_mid 0.02 _exptl_crystal_size_min 0.02 _refine_diff_density_max 1.462 _refine_diff_density_min -1.510 _refine_ls_abs_structure_details 'Flack (1983), 875 Friedel pairs' _refine_ls_abs_structure_Flack 0.0(3) _refine_ls_extinction_coef 0.00041(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL97 (Sheldrick, 2008)' _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_matrix_type full _refine_ls_number_parameters 119 _refine_ls_number_reflns 2715 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.027 _refine_ls_R_factor_all 0.0273 _refine_ls_R_factor_gt 0.0247 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0360P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0578 _refine_ls_wR_factor_ref 0.0589 _reflns_number_gt 2538 _reflns_number_total 2715 _reflns_threshold_expression I>2sigma(I) _iucr_refine_instructions_details ; TITL Nd5Li2Sn7 in P2(1)2(1)2(1) CELL 0.71073 6.2109 13.6894 17.2868 90.000 90.000 90.000 ZERR 4.00 0.0006 0.0014 0.0017 0.000 0.000 0.000 LATT -1 SYMM 0.5-X, -Y, 0.5+Z SYMM -X, 0.5+Y, 0.5-Z SYMM 0.5+X, 0.5-Y, -Z SFAC LI SN ND UNIT 7.96 28.04 20 TEMP -73 ACTA SIZE 0.065 0.022 0.020 OMIT -3 55 L.S. 10 BOND FMAP -2 PLAN 5 EADP LI1 SN EXYZ LI1 SN TWIN -1 0 0 0 -1 0 0 0 -1 WGHT 0.0360 EXTI 0.000446 BASF 0.54172 FVAR 0.09215 0.99400 ND1 3 0.144435 0.498236 0.263430 11.00000 0.01006 0.01185 = 0.01222 -0.00055 -0.00043 0.00009 ND2 3 0.358199 0.180451 0.540475 11.00000 0.00999 0.01159 = 0.01101 0.00051 -0.00003 0.00010 ND3 3 0.363291 0.176493 0.217111 11.00000 0.01125 0.01281 = 0.01206 0.00049 0.00002 0.00003 ND4 3 0.639704 0.001874 0.017913 11.00000 0.01006 0.01197 = 0.01206 0.00044 -0.00048 0.00012 ND5 3 0.647950 0.424281 0.123068 11.00000 0.01070 0.01169 = 0.01242 0.00017 0.00000 0.00032 SN1 2 0.094932 0.121422 0.378738 11.00000 0.00976 0.01124 = 0.01235 -0.00022 -0.00009 -0.00051 SN2 2 0.137173 0.348389 0.122592 11.00000 0.01094 0.01278 = 0.01245 -0.00007 0.00034 0.00005 SN3 2 0.137109 0.062045 0.065710 11.00000 0.01046 0.01458 = 0.01243 -0.00083 0.00028 0.00012 SN4 2 0.150301 0.056627 0.688113 11.00000 0.01076 0.01479 = 0.01210 0.00183 -0.00070 -0.00004 SN5 2 0.197602 0.690360 0.371710 11.00000 0.01420 0.01189 = 0.01365 0.00024 0.00141 -0.00031 SN6 2 0.327873 0.312613 0.378273 11.00000 0.01358 0.01124 = 0.01336 -0.00043 0.00146 -0.00089 SN7 2 0.612436 0.126715 0.378818 11.00000 0.00930 0.01223 = 0.01140 -0.00093 -0.00052 -0.00037 LI1 1 0.119643 0.766881 0.229099 21.00000 10.01000 SN 2 0.119643 0.766881 0.229099 -21.00000 10.01000 LI2 1 0.421193 0.231555 0.020169 11.00000 0.01011 HKLF 4 REM test in P2(1)2(1)2(1) REM R1 = 0.0246 for 2538 Fo > 4sig(Fo) and 0.0272 for all 2715 data REM 119 parameters refined using 0 restraints END WGHT 0.0360 0.0000 REM Highest difference peak 1.470, deepest hole -1.499, 1-sigma level 0.337 Q1 1 0.4672 0.1805 0.1826 11.00000 0.05 -1.50 Q2 1 0.2505 0.1791 0.5060 11.00000 0.05 -1.49 Q3 1 0.5449 0.0012 -0.0185 11.00000 0.05 -1.47 Q4 1 0.3361 0.1350 0.5782 11.00000 0.05 1.47 Q5 1 0.0493 0.4949 0.2349 11.00000 0.05 -1.44 ; _[local]_cod_data_source_file ku3114sup1.cif _[local]_cod_data_source_block Nd5Li2Sn7 _cod_database_code 2019430 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' 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 _atom_site_occupancy _atom_site_symmetry_multiplicity Nd Nd1 0.14447(10) 0.49824(4) 0.26344(3) 0.01132(13) Uani d . 1 1 Nd Nd2 0.35820(10) 0.18045(4) 0.54046(3) 0.01083(13) Uani d . 1 1 Nd Nd3 0.36331(11) 0.17650(4) 0.21710(3) 0.01199(14) Uani d . 1 1 Nd Nd4 0.63969(11) 0.00188(4) 0.01791(3) 0.01130(13) Uani d . 1 1 Nd Nd5 0.64796(8) 0.42427(4) 0.12308(4) 0.01151(12) Uani d . 1 1 Sn Sn1 0.09497(10) 0.12142(5) 0.37872(5) 0.01104(15) Uani d . 1 1 Sn Sn2 0.13715(11) 0.34838(5) 0.12257(5) 0.01198(15) Uani d . 1 1 Sn Sn3 0.13712(14) 0.06203(5) 0.06571(4) 0.01246(16) Uani d . 1 1 Sn Sn4 0.15027(14) 0.05664(5) 0.68811(4) 0.01256(16) Uani d . 1 1 Sn Sn5 0.19759(11) 0.69035(5) 0.37171(5) 0.01317(16) Uani d . 1 1 Sn Sn6 0.32785(11) 0.31259(5) 0.37827(5) 0.01271(15) Uani d . 1 1 Sn Sn7 0.61243(10) 0.12672(5) 0.37884(5) 0.01097(15) Uani d . 1 1 Li Li1 0.121(3) 0.7669(11) 0.2294(9) 0.010 Uiso d P 0.994(2) 1 Sn Sn 0.121(3) 0.7669(11) 0.2294(9) 0.010 Uiso d P 0.006(2) 1 Li Li2 0.421(3) 0.2320(13) 0.0205(10) 0.009(4) Uiso d . 1 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 Nd1 0.0101(3) 0.0117(3) 0.0122(3) 0.0002(3) -0.0004(3) -0.0005(2) Nd2 0.0100(3) 0.0115(3) 0.0110(3) 0.0001(3) 0.0000(3) 0.0006(2) Nd3 0.0113(3) 0.0127(3) 0.0120(3) 0.0001(3) 0.0000(3) 0.0005(2) Nd4 0.0101(3) 0.0119(3) 0.0120(3) 0.0002(3) -0.0004(3) 0.0004(2) Nd5 0.0106(2) 0.0115(2) 0.0123(3) 0.0003(2) 0.0000(3) 0.0002(3) Sn1 0.0097(3) 0.0111(3) 0.0123(4) -0.0004(2) 0.0000(3) -0.0003(4) Sn2 0.0110(3) 0.0126(3) 0.0123(4) 0.0001(3) 0.0002(4) -0.0003(3) Sn3 0.0105(4) 0.0145(3) 0.0124(4) 0.0001(4) 0.0003(3) -0.0008(3) Sn4 0.0109(4) 0.0147(3) 0.0121(4) -0.0001(4) -0.0007(3) 0.0019(3) Sn5 0.0143(3) 0.0118(3) 0.0135(4) -0.0003(3) 0.0014(3) 0.0002(4) Sn6 0.0135(3) 0.0112(3) 0.0134(4) -0.0009(3) 0.0015(4) -0.0004(3) Sn7 0.0093(3) 0.0122(3) 0.0114(4) -0.0004(3) -0.0005(4) -0.0008(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle Sn2 Nd1 Sn5 . . 164.73(3) Sn2 Nd1 Sn4 . 4_456 91.98(2) Sn5 Nd1 Sn4 . 4_456 97.70(2) Sn2 Nd1 Sn1 . 3 75.85(2) Sn5 Nd1 Sn1 . 3 93.48(2) Sn4 Nd1 Sn1 4_456 3 83.46(2) Sn2 Nd1 Sn4 . 4_556 93.46(2) Sn5 Nd1 Sn4 . 4_556 86.67(2) Sn4 Nd1 Sn4 4_456 4_556 140.17(3) Sn1 Nd1 Sn4 3 4_556 136.01(3) Sn2 Nd1 Sn7 . 3_655 77.59(2) Sn5 Nd1 Sn7 . 3_655 87.28(3) Sn4 Nd1 Sn7 4_456 3_655 136.51(3) Sn1 Nd1 Sn7 3 3_655 53.064(18) Sn4 Nd1 Sn7 4_556 3_655 83.06(2) Sn2 Nd1 Sn6 . . 88.28(2) Sn5 Nd1 Sn6 . . 103.51(3) Sn4 Nd1 Sn6 4_456 . 89.61(2) Sn1 Nd1 Sn6 3 . 162.39(3) Sn4 Nd1 Sn6 4_556 . 51.206(19) Sn7 Nd1 Sn6 3_655 . 131.32(3) Sn2 Nd1 Sn3 . 3 142.14(3) Sn5 Nd1 Sn3 . 3 50.90(2) Sn4 Nd1 Sn3 4_456 3 51.64(2) Sn1 Nd1 Sn3 3 3 105.66(3) Sn4 Nd1 Sn3 4_556 3 108.13(2) Sn7 Nd1 Sn3 3_655 3 134.36(3) Sn6 Nd1 Sn3 . 3 82.17(2) Sn2 Nd1 Sn . 3_545 56.6(3) Sn5 Nd1 Sn . 3_545 138.2(3) Sn4 Nd1 Sn 4_456 3_545 49.8(3) Sn1 Nd1 Sn 3 3_545 105.6(3) Sn4 Nd1 Sn 4_556 3_545 103.0(3) Sn7 Nd1 Sn 3_655 3_545 133.8(3) Sn6 Nd1 Sn . 3_545 58.3(3) Sn3 Nd1 Sn 3 3_545 87.8(3) Sn2 Nd1 Li1 . 3_545 56.6(3) Sn5 Nd1 Li1 . 3_545 138.2(3) Sn4 Nd1 Li1 4_456 3_545 49.8(3) Sn1 Nd1 Li1 3 3_545 105.6(3) Sn4 Nd1 Li1 4_556 3_545 103.0(3) Sn7 Nd1 Li1 3_655 3_545 133.8(3) Sn6 Nd1 Li1 . 3_545 58.3(3) Sn3 Nd1 Li1 3 3_545 87.8(3) Sn Nd1 Li1 3_545 3_545 0.0(7) Sn2 Nd1 Li1 . . 120.9(2) Sn5 Nd1 Li1 . . 45.2(2) Sn4 Nd1 Li1 4_456 . 103.3(2) Sn1 Nd1 Li1 3 . 50.7(2) Sn4 Nd1 Li1 4_556 . 107.4(2) Sn7 Nd1 Li1 3_655 . 52.4(2) Sn6 Nd1 Li1 . . 146.9(2) Sn3 Nd1 Li1 3 . 82.5(2) Sn Nd1 Li1 3_545 . 149.55(10) Li1 Nd1 Li1 3_545 . 149.55(10) Sn2 Nd1 Nd3 . 3_655 118.49(2) Sn5 Nd1 Nd3 . 3_655 50.775(18) Sn4 Nd1 Nd3 4_456 3_655 148.43(2) Sn1 Nd1 Nd3 3 3_655 95.52(2) Sn4 Nd1 Nd3 4_556 3_655 52.073(19) Sn7 Nd1 Nd3 3_655 3_655 52.483(19) Sn6 Nd1 Nd3 . 3_655 98.79(2) Sn3 Nd1 Nd3 3 3_655 99.20(2) Sn Nd1 Nd3 3_545 3_655 155.1(3) Li1 Nd1 Nd3 3_545 3_655 155.1(3) Li1 Nd1 Nd3 . 3_655 55.3(2) Sn6 Nd2 Sn7 4_556 . 86.72(3) Sn6 Nd2 Sn4 4_556 . 91.83(3) Sn7 Nd2 Sn4 . . 136.37(3) Sn6 Nd2 Sn1 4_556 . 144.24(3) Sn7 Nd2 Sn1 . . 58.00(2) Sn4 Nd2 Sn1 . . 109.23(3) Sn6 Nd2 Sn 4_556 2_565 62.3(3) Sn7 Nd2 Sn . 2_565 149.0(3) Sn4 Nd2 Sn . 2_565 51.4(3) Sn1 Nd2 Sn . 2_565 152.7(3) Sn6 Nd2 Li1 4_556 2_565 62.3(3) Sn7 Nd2 Li1 . 2_565 149.0(3) Sn4 Nd2 Li1 . 2_565 51.4(3) Sn1 Nd2 Li1 . 2_565 152.7(3) Sn Nd2 Li1 2_565 2_565 0.0(6) Sn6 Nd2 Sn6 4_556 . 113.50(3) Sn7 Nd2 Sn6 . . 55.67(2) Sn4 Nd2 Sn6 . . 153.90(3) Sn1 Nd2 Sn6 . . 53.18(2) Sn Nd2 Sn6 2_565 . 134.8(3) Li1 Nd2 Sn6 2_565 . 134.8(3) Sn6 Nd2 Sn3 4_556 2 87.98(2) Sn7 Nd2 Sn3 . 2 83.40(2) Sn4 Nd2 Sn3 . 2 52.98(2) Sn1 Nd2 Sn3 . 2 82.73(2) Sn Nd2 Sn3 2_565 2 94.9(3) Li1 Nd2 Sn3 2_565 2 94.9(3) Sn6 Nd2 Sn3 . 2 130.28(2) Sn6 Nd2 Sn7 4_556 4_456 101.91(2) Sn7 Nd2 Sn7 . 4_456 138.35(2) Sn4 Nd2 Sn7 . 4_456 84.55(2) Sn1 Nd2 Sn7 . 4_456 108.43(2) Sn Nd2 Sn7 2_565 4_456 56.1(3) Li1 Nd2 Sn7 2_565 4_456 56.1(3) Sn6 Nd2 Sn7 . 4_456 84.10(2) Sn3 Nd2 Sn7 2 4_456 136.90(3) Sn6 Nd2 Sn1 4_556 4_556 53.595(19) Sn7 Nd2 Sn1 . 4_556 108.71(2) Sn4 Nd2 Sn1 . 4_556 105.08(3) Sn1 Nd2 Sn1 . 4_556 138.77(2) Sn Nd2 Sn1 2_565 4_556 53.7(3) Li1 Nd2 Sn1 2_565 4_556 53.7(3) Sn6 Nd2 Sn1 . 4_556 86.39(2) Sn3 Nd2 Sn1 2 4_556 137.42(3) Sn7 Nd2 Sn1 4_456 4_556 52.816(18) Sn6 Nd2 Sn6 4_556 4_456 131.09(3) Sn7 Nd2 Sn6 . 4_456 141.23(3) Sn4 Nd2 Sn6 . 4_456 49.86(2) Sn1 Nd2 Sn6 . 4_456 83.37(2) Sn Nd2 Sn6 2_565 4_456 69.4(3) Li1 Nd2 Sn6 2_565 4_456 69.4(3) Sn6 Nd2 Sn6 . 4_456 105.23(3) Sn3 Nd2 Sn6 2 4_456 89.04(2) Sn7 Nd2 Sn6 4_456 4_456 52.939(18) Sn1 Nd2 Sn6 4_556 4_456 102.48(2) Sn6 Nd2 Nd2 4_556 4_456 149.08(3) Sn7 Nd2 Nd2 . 4_456 100.75(3) Sn4 Nd2 Nd2 . 4_456 102.41(2) Sn1 Nd2 Nd2 . 4_456 55.117(19) Sn Nd2 Nd2 2_565 4_456 106.0(3) Li1 Nd2 Nd2 2_565 4_456 106.0(3) Sn6 Nd2 Nd2 . 4_456 52.43(2) Sn3 Nd2 Nd2 2 4_456 122.51(2) Sn7 Nd2 Nd2 4_456 4_456 53.33(2) Sn1 Nd2 Nd2 4_556 4_456 95.89(3) Sn6 Nd2 Nd2 4_456 4_456 52.830(15) Sn5 Nd3 Sn2 3_645 . 95.02(3) Sn5 Nd3 Sn4 3_645 2_554 90.37(3) Sn2 Nd3 Sn4 . 2_554 129.59(3) Sn5 Nd3 Sn7 3_645 . 91.13(3) Sn2 Nd3 Sn7 . . 143.18(3) Sn4 Nd3 Sn7 2_554 . 86.51(2) Sn5 Nd3 Sn1 3_645 . 149.03(3) Sn2 Nd3 Sn1 . . 112.04(3) Sn4 Nd3 Sn1 2_554 . 83.90(2) Sn7 Nd3 Sn1 . . 58.22(2) Sn5 Nd3 Sn3 3_645 . 90.60(3) Sn2 Nd3 Sn3 . . 76.16(2) Sn4 Nd3 Sn3 2_554 . 53.66(2) Sn7 Nd3 Sn3 . . 140.14(3) Sn1 Nd3 Sn3 . . 109.74(3) Sn5 Nd3 Sn6 3_645 . 115.45(3) Sn2 Nd3 Sn6 . . 89.25(2) Sn4 Nd3 Sn6 2_554 . 132.43(3) Sn7 Nd3 Sn6 . . 55.73(2) Sn1 Nd3 Sn6 . . 53.03(2) Sn3 Nd3 Sn6 . . 151.38(3) Sn5 Nd3 Sn 3_645 3_545 152.3(3) Sn2 Nd3 Sn . 3_545 58.6(3) Sn4 Nd3 Sn 2_554 3_545 112.4(3) Sn7 Nd3 Sn . 3_545 105.3(3) Sn1 Nd3 Sn . 3_545 53.8(3) Sn3 Nd3 Sn . 3_545 90.7(3) Sn6 Nd3 Sn . 3_545 60.8(3) Sn5 Nd3 Li1 3_645 3_545 152.3(3) Sn2 Nd3 Li1 . 3_545 58.6(3) Sn4 Nd3 Li1 2_554 3_545 112.4(3) Sn7 Nd3 Li1 . 3_545 105.3(3) Sn1 Nd3 Li1 . 3_545 53.8(3) Sn3 Nd3 Li1 . 3_545 90.7(3) Sn6 Nd3 Li1 . 3_545 60.8(3) Sn Nd3 Li1 3_545 3_545 0.0(5) Sn5 Nd3 Li2 3_645 . 54.7(3) Sn2 Nd3 Li2 . . 52.3(3) Sn4 Nd3 Li2 2_554 . 93.8(3) Sn7 Nd3 Li2 . . 145.8(3) Sn1 Nd3 Li2 . . 155.8(3) Sn3 Nd3 Li2 . . 52.2(3) Sn6 Nd3 Li2 . . 133.8(3) Sn Nd3 Li2 3_545 . 106.1(4) Li1 Nd3 Li2 3_545 . 106.1(4) Sn5 Nd3 Sn 3_645 3_645 47.4(3) Sn2 Nd3 Sn . 3_645 105.9(3) Sn4 Nd3 Sn 2_554 3_645 114.0(3) Sn7 Nd3 Sn . 3_645 54.8(3) Sn1 Nd3 Sn . 3_645 108.1(3) Sn3 Nd3 Sn . 3_645 137.9(3) Sn6 Nd3 Sn . 3_645 69.5(3) Sn Nd3 Sn 3_545 3_645 127.1(5) Li1 Nd3 Sn 3_545 3_645 127.1(5) Li2 Nd3 Sn . 3_645 94.9(4) Sn5 Nd3 Li1 3_645 3_645 47.4(3) Sn2 Nd3 Li1 . 3_645 105.9(3) Sn4 Nd3 Li1 2_554 3_645 114.0(3) Sn7 Nd3 Li1 . 3_645 54.8(3) Sn1 Nd3 Li1 . 3_645 108.1(3) Sn3 Nd3 Li1 . 3_645 137.9(3) Sn6 Nd3 Li1 . 3_645 69.5(3) Sn Nd3 Li1 3_545 3_645 127.1(5) Li1 Nd3 Li1 3_545 3_645 127.1(5) Li2 Nd3 Li1 . 3_645 94.9(4) Sn Nd3 Li1 3_645 3_645 0.0(5) Sn6 Nd4 Sn2 3_645 4 164.51(3) Sn6 Nd4 Sn1 3_645 2_554 91.32(2) Sn2 Nd4 Sn1 4 2_554 76.66(2) Sn6 Nd4 Sn3 3_645 1_655 90.15(2) Sn2 Nd4 Sn3 4 1_655 92.01(2) Sn1 Nd4 Sn3 2_554 1_655 136.67(3) Sn6 Nd4 Sn3 3_645 . 96.98(2) Sn2 Nd4 Sn3 4 . 91.46(2) Sn1 Nd4 Sn3 2_554 . 83.85(2) Sn3 Nd4 Sn3 1_655 . 138.82(3) Sn6 Nd4 Sn7 3_645 2_654 86.98(2) Sn2 Nd4 Sn7 4 2_654 78.06(2) Sn1 Nd4 Sn7 2_554 2_654 53.711(19) Sn3 Nd4 Sn7 1_655 2_654 83.16(2) Sn3 Nd4 Sn7 . 2_654 137.51(3) Sn6 Nd4 Sn5 3_645 3_645 106.72(3) Sn2 Nd4 Sn5 4 3_645 86.58(2) Sn1 Nd4 Sn5 2_554 3_645 160.73(3) Sn3 Nd4 Sn5 1_655 3_645 52.11(2) Sn3 Nd4 Sn5 . 3_645 87.21(2) Sn7 Nd4 Sn5 2_654 3_645 132.16(3) Sn6 Nd4 Li2 3_645 . 140.5(3) Sn2 Nd4 Li2 4 . 54.3(3) Sn1 Nd4 Li2 2_554 . 107.8(3) Sn3 Nd4 Li2 1_655 . 97.9(3) Sn3 Nd4 Li2 . . 53.1(3) Sn7 Nd4 Li2 2_654 . 132.3(3) Sn5 Nd4 Li2 3_645 . 53.7(3) Sn6 Nd4 Sn4 3_645 2_554 51.30(2) Sn2 Nd4 Sn4 4 2_554 141.10(3) Sn1 Nd4 Sn4 2_554 2_554 105.49(3) Sn3 Nd4 Sn4 1_655 2_554 108.92(2) Sn3 Nd4 Sn4 . 2_554 51.21(2) Sn7 Nd4 Sn4 2_654 2_554 135.25(3) Sn5 Nd4 Sn4 3_645 2_554 81.67(2) Li2 Nd4 Sn4 . 2_554 89.7(3) Sn6 Nd4 Nd2 3_645 2_554 58.742(19) Sn2 Nd4 Nd2 4 2_554 118.29(2) Sn1 Nd4 Nd2 2_554 2_554 53.555(18) Sn3 Nd4 Nd2 1_655 2_554 148.86(2) Sn3 Nd4 Nd2 . 2_554 53.475(19) Sn7 Nd4 Nd2 2_654 2_554 95.59(2) Sn5 Nd4 Nd2 3_645 2_554 131.04(2) Li2 Nd4 Nd2 . 2_554 105.4(3) Sn4 Nd4 Nd2 2_554 2_554 51.950(17) Sn6 Nd4 Nd1 3_645 3_645 55.458(19) Sn2 Nd4 Nd1 4 3_645 136.87(2) Sn1 Nd4 Nd1 2_554 3_645 146.44(2) Sn3 Nd4 Nd1 1_655 3_645 56.945(18) Sn3 Nd4 Nd1 . 3_645 94.73(2) Sn7 Nd4 Nd1 2_654 3_645 121.03(2) Sn5 Nd4 Nd1 3_645 3_645 51.291(18) Li2 Nd4 Nd1 . 3_645 97.6(3) Sn4 Nd4 Nd1 2_554 3_645 51.991(18) Nd2 Nd4 Nd1 2_554 3_645 99.152(17) Sn6 Nd4 Nd2 3_645 2_654 52.046(18) Sn2 Nd4 Nd2 4 2_654 118.64(2) Sn1 Nd4 Nd2 2_554 2_654 95.53(2) Sn3 Nd4 Nd2 1_655 2_654 53.403(19) Sn3 Nd4 Nd2 . 2_654 149.03(2) Sn7 Nd4 Nd2 2_654 2_654 52.158(18) Sn5 Nd4 Nd2 3_645 2_654 100.86(2) Li2 Nd4 Nd2 . 2_654 151.3(3) Sn4 Nd4 Nd2 2_554 2_654 100.01(2) Nd2 Nd4 Nd2 2_554 2_654 101.741(19) Nd1 Nd4 Nd2 3_645 2_654 68.961(14) Sn1 Nd5 Sn7 3_655 3_655 60.87(2) Sn1 Nd5 Sn2 3_655 1_655 78.27(2) Sn7 Nd5 Sn2 3_655 1_655 139.14(2) Sn1 Nd5 Sn3 3_655 4 87.21(3) Sn7 Nd5 Sn3 3_655 4 85.97(2) Sn2 Nd5 Sn3 1_655 4 92.02(3) Sn1 Nd5 Sn4 3_655 4_556 86.50(3) Sn7 Nd5 Sn4 3_655 4_556 86.76(3) Sn2 Nd5 Sn4 1_655 4_556 91.40(3) Sn3 Nd5 Sn4 4 4_556 172.08(2) Sn1 Nd5 Sn2 3_655 . 138.73(2) Sn7 Nd5 Sn2 3_655 . 77.86(2) Sn2 Nd5 Sn2 1_655 . 142.99(3) Sn3 Nd5 Sn2 4 . 89.75(2) Sn4 Nd5 Sn2 4_556 . 91.81(2) Sn1 Nd5 Sn5 3_655 3_645 132.71(2) Sn7 Nd5 Sn5 3_655 3_645 166.38(2) Sn2 Nd5 Sn5 1_655 3_645 54.467(18) Sn3 Nd5 Sn5 4 3_645 95.03(2) Sn4 Nd5 Sn5 4_556 3_645 92.77(2) Sn2 Nd5 Sn5 . 3_645 88.55(2) Sn1 Nd5 Li2 3_655 . 148.6(3) Sn7 Nd5 Li2 3_655 . 116.4(3) Sn2 Nd5 Li2 1_655 . 97.9(3) Sn3 Nd5 Li2 4 . 61.7(3) Sn4 Nd5 Li2 4_556 . 124.8(3) Sn2 Nd5 Li2 . . 51.5(3) Sn5 Nd5 Li2 3_645 . 53.4(3) Sn1 Nd5 Sn 3_655 3_645 108.4(2) Sn7 Nd5 Sn 3_655 3_645 135.9(3) Sn2 Nd5 Sn 1_655 3_645 55.7(3) Sn3 Nd5 Sn 4 3_645 137.9(3) Sn4 Nd5 Sn 4_556 3_645 49.2(3) Sn2 Nd5 Sn . 3_645 101.1(2) Sn5 Nd5 Sn 3_645 3_645 45.6(3) Li2 Nd5 Sn . 3_645 94.0(4) Sn1 Nd5 Li1 3_655 3_645 108.4(2) Sn7 Nd5 Li1 3_655 3_645 135.9(3) Sn2 Nd5 Li1 1_655 3_645 55.7(3) Sn3 Nd5 Li1 4 3_645 137.9(3) Sn4 Nd5 Li1 4_556 3_645 49.2(3) Sn2 Nd5 Li1 . 3_645 101.1(2) Sn5 Nd5 Li1 3_645 3_645 45.6(3) Li2 Nd5 Li1 . 3_645 94.0(4) Sn Nd5 Li1 3_645 3_645 0.0(7) Sn1 Nd5 Li2 3_655 4 105.0(3) Sn7 Nd5 Li2 3_655 4 136.5(3) Sn2 Nd5 Li2 1_655 4 51.4(3) Sn3 Nd5 Li2 4 4 51.0(3) Sn4 Nd5 Li2 4_556 4 135.6(3) Sn2 Nd5 Li2 . 4 104.8(3) Sn5 Nd5 Li2 3_645 4 48.0(3) Li2 Nd5 Li2 . 4 53.39(14) Sn Nd5 Li2 3_645 4 87.0(4) Li1 Nd5 Li2 3_645 4 87.0(4) Sn1 Nd5 Nd4 3_655 4 52.642(19) Sn7 Nd5 Nd4 3_655 4 99.14(2) Sn2 Nd5 Nd4 1_655 4 50.460(18) Sn3 Nd5 Nd4 4 4 53.02(2) Sn4 Nd5 Nd4 4_556 4 125.35(2) Sn2 Nd5 Nd4 . 4 142.70(2) Sn5 Nd5 Nd4 3_645 4 92.24(2) Li2 Nd5 Nd4 . 4 100.9(3) Sn Nd5 Nd4 3_645 4 105.8(3) Li1 Nd5 Nd4 3_645 4 105.8(3) Li2 Nd5 Nd4 4 4 52.5(3) Sn6 Sn1 Sn7 . 1_455 117.54(3) Sn6 Sn1 Sn . 3_545 68.8(3) Sn7 Sn1 Sn 1_455 3_545 62.9(3) Sn6 Sn1 Li1 . 3_545 68.8(3) Sn7 Sn1 Li1 1_455 3_545 62.9(3) Sn Sn1 Li1 3_545 3_545 0.0(7) Sn6 Sn1 Nd5 . 3_645 120.46(3) Sn7 Sn1 Nd5 1_455 3_645 121.99(3) Sn Sn1 Nd5 3_545 3_645 141.4(3) Li1 Sn1 Nd5 3_545 3_645 141.4(3) Sn6 Sn1 Sn7 . . 59.78(2) Sn7 Sn1 Sn7 1_455 . 177.32(3) Sn Sn1 Sn7 3_545 . 115.2(3) Li1 Sn1 Sn7 3_545 . 115.2(3) Nd5 Sn1 Sn7 3_645 . 60.69(2) Sn6 Sn1 Nd4 . 2 131.84(4) Sn7 Sn1 Nd4 1_455 2 64.39(3) Sn Sn1 Nd4 3_545 2 126.3(3) Li1 Sn1 Nd4 3_545 2 126.3(3) Nd5 Sn1 Nd4 3_645 2 77.91(2) Sn7 Sn1 Nd4 . 2 117.08(3) Sn6 Sn1 Nd1 . 3_545 131.09(3) Sn7 Sn1 Nd1 1_455 3_545 64.30(3) Sn Sn1 Nd1 3_545 3_545 71.4(3) Li1 Sn1 Nd1 3_545 3_545 71.4(3) Nd5 Sn1 Nd1 3_645 3_545 77.54(2) Sn7 Sn1 Nd1 . 3_545 117.28(3) Nd4 Sn1 Nd1 2 3_545 94.72(2) Sn6 Sn1 Nd2 . . 63.47(2) Sn7 Sn1 Nd2 1_455 . 118.89(4) Sn Sn1 Nd2 3_545 . 124.9(3) Li1 Sn1 Nd2 3_545 . 124.9(3) Nd5 Sn1 Nd2 3_645 . 88.12(2) Sn7 Sn1 Nd2 . . 60.29(3) Nd4 Sn1 Nd2 2 . 74.21(2) Nd1 Sn1 Nd2 3_545 . 163.57(3) Sn6 Sn1 Nd3 . . 63.82(2) Sn7 Sn1 Nd3 1_455 . 119.61(4) Sn Sn1 Nd3 3_545 . 63.8(3) Li1 Sn1 Nd3 3_545 . 63.8(3) Nd5 Sn1 Nd3 3_645 . 86.10(2) Sn7 Sn1 Nd3 . . 59.77(3) Nd4 Sn1 Nd3 2 . 162.08(3) Nd1 Sn1 Nd3 3_545 . 73.73(2) Nd2 Sn1 Nd3 . . 113.68(2) Sn6 Sn1 Nd2 . 4_456 60.67(2) Sn7 Sn1 Nd2 1_455 4_456 63.02(2) Sn Sn1 Nd2 3_545 4_456 62.5(3) Li1 Sn1 Nd2 3_545 4_456 62.5(3) Nd5 Sn1 Nd2 3_645 4_456 156.11(4) Sn7 Sn1 Nd2 . 4_456 114.57(3) Nd4 Sn1 Nd2 2 4_456 85.22(2) Nd1 Sn1 Nd2 3_545 4_456 121.06(3) Nd2 Sn1 Nd2 . 4_456 70.929(19) Nd3 Sn1 Nd2 . 4_456 112.40(3) Li2 Sn2 Sn5 . 3_545 92.5(4) Li2 Sn2 Li2 . 4_455 65.21(15) Sn5 Sn2 Li2 3_545 4_455 57.1(3) Li2 Sn2 Nd4 . 4_455 83.6(3) Sn5 Sn2 Nd4 3_545 4_455 119.56(3) Li2 Sn2 Nd4 4_455 4_455 67.1(3) Li2 Sn2 Nd1 . . 142.6(4) Sn5 Sn2 Nd1 3_545 . 116.68(3) Li2 Sn2 Nd1 4_455 . 150.1(3) Nd4 Sn2 Nd1 4_455 . 99.72(2) Li2 Sn2 Nd3 . . 69.3(3) Sn5 Sn2 Nd3 3_545 . 75.91(2) Li2 Sn2 Nd3 4_455 . 110.3(3) Nd4 Sn2 Nd3 4_455 . 149.87(3) Nd1 Sn2 Nd3 . . 94.42(3) Li2 Sn2 Nd5 . 1_455 137.7(4) Sn5 Sn2 Nd5 3_545 1_455 65.02(2) Li2 Sn2 Nd5 4_455 1_455 72.5(3) Nd4 Sn2 Nd5 4_455 1_455 78.35(2) Nd1 Sn2 Nd5 . 1_455 78.64(2) Nd3 Sn2 Nd5 . 1_455 130.83(3) Li2 Sn2 Sn . 3_545 125.7(5) Sn5 Sn2 Sn 3_545 3_545 51.6(3) Li2 Sn2 Sn 4_455 3_545 107.7(4) Nd4 Sn2 Sn 4_455 3_545 146.5(3) Nd1 Sn2 Sn . 3_545 67.8(3) Nd3 Sn2 Sn . 3_545 63.6(3) Nd5 Sn2 Sn 1_455 3_545 68.9(3) Li2 Sn2 Li1 . 3_545 125.7(5) Sn5 Sn2 Li1 3_545 3_545 51.6(3) Li2 Sn2 Li1 4_455 3_545 107.7(4) Nd4 Sn2 Li1 4_455 3_545 146.5(3) Nd1 Sn2 Li1 . 3_545 67.8(3) Nd3 Sn2 Li1 . 3_545 63.6(3) Nd5 Sn2 Li1 1_455 3_545 68.9(3) Sn Sn2 Li1 3_545 3_545 0.0(7) Li2 Sn2 Nd5 . . 66.6(4) Sn5 Sn2 Nd5 3_545 . 151.92(3) Li2 Sn2 Nd5 4_455 . 122.5(3) Nd4 Sn2 Nd5 4_455 . 78.26(2) Nd1 Sn2 Nd5 . . 77.52(2) Nd3 Sn2 Nd5 . . 79.03(2) Nd5 Sn2 Nd5 1_455 . 142.99(3) Sn Sn2 Nd5 3_545 . 125.4(3) Li1 Sn2 Nd5 3_545 . 125.4(3) Sn5 Sn3 Sn4 3_545 2_554 112.32(3) Sn5 Sn3 Li2 3_545 . 92.7(3) Sn4 Sn3 Li2 2_554 . 110.2(3) Sn5 Sn3 Nd5 3_545 4_455 110.42(3) Sn4 Sn3 Nd5 2_554 4_455 137.03(3) Li2 Sn3 Nd5 . 4_455 71.7(3) Sn5 Sn3 Nd4 3_545 1_455 65.03(3) Sn4 Sn3 Nd4 2_554 1_455 117.18(3) Li2 Sn3 Nd4 . 1_455 132.3(3) Nd5 Sn3 Nd4 4_455 1_455 77.51(2) Sn5 Sn3 Nd4 3_545 . 154.78(3) Sn4 Sn3 Nd4 2_554 . 68.03(2) Li2 Sn3 Nd4 . . 65.1(3) Nd5 Sn3 Nd4 4_455 . 75.36(2) Nd4 Sn3 Nd4 1_455 . 138.82(3) Sn5 Sn3 Nd2 3_545 2_554 130.46(3) Sn4 Sn3 Nd2 2_554 2_554 63.11(2) Li2 Sn3 Nd2 . 2_554 136.4(3) Nd5 Sn3 Nd2 4_455 2_554 85.79(2) Nd4 Sn3 Nd2 1_455 2_554 74.23(2) Nd4 Sn3 Nd2 . 2_554 73.41(2) Sn5 Sn3 Nd3 3_545 . 74.29(2) Sn4 Sn3 Nd3 2_554 . 61.00(2) Li2 Sn3 Nd3 . . 66.3(3) Nd5 Sn3 Nd3 4_455 . 137.94(3) Nd4 Sn3 Nd3 1_455 . 134.65(3) Nd4 Sn3 Nd3 . . 85.22(3) Nd2 Sn3 Nd3 2_554 . 124.10(3) Sn5 Sn3 Nd1 3_545 3_545 59.30(2) Sn4 Sn3 Nd1 2_554 3_545 59.45(2) Li2 Sn3 Nd1 . 3_545 133.9(3) Nd5 Sn3 Nd1 4_455 3_545 148.94(3) Nd4 Sn3 Nd1 1_455 3_545 71.65(2) Nd4 Sn3 Nd1 . 3_545 127.48(3) Nd2 Sn3 Nd1 2_554 3_545 82.45(2) Nd3 Sn3 Nd1 . 3_545 70.84(2) Sn Sn4 Li1 2_565 2_565 0.0(7) Sn Sn4 Sn6 2_565 4_456 85.5(3) Li1 Sn4 Sn6 2_565 4_456 85.5(3) Sn Sn4 Sn3 2_565 2 114.4(3) Li1 Sn4 Sn3 2_565 2 114.4(3) Sn6 Sn4 Sn3 4_456 2 111.06(3) Sn Sn4 Nd3 2_565 2 143.1(3) Li1 Sn4 Nd3 2_565 2 143.1(3) Sn6 Sn4 Nd3 4_456 2 130.41(3) Sn3 Sn4 Nd3 2 2 65.34(2) Sn Sn4 Nd1 2_565 4_556 70.6(3) Li1 Sn4 Nd1 2_565 4_556 70.6(3) Sn6 Sn4 Nd1 4_456 4_556 152.28(3) Sn3 Sn4 Nd1 2 4_556 68.91(2) Nd3 Sn4 Nd1 2 4_556 75.98(2) Sn Sn4 Nd5 2_565 4_456 71.9(3) Li1 Sn4 Nd5 2_565 4_456 71.9(3) Sn6 Sn4 Nd5 4_456 4_456 109.86(3) Sn3 Sn4 Nd5 2 4_456 138.94(3) Nd3 Sn4 Nd5 2 4_456 85.65(2) Nd1 Sn4 Nd5 4_556 4_456 76.53(2) Sn Sn4 Nd2 2_565 . 64.7(3) Li1 Sn4 Nd2 2_565 . 64.7(3) Sn6 Sn4 Nd2 4_456 . 69.65(3) Sn3 Sn4 Nd2 2 . 63.91(2) Nd3 Sn4 Nd2 2 . 129.24(3) Nd1 Sn4 Nd2 4_556 . 87.08(3) Nd5 Sn4 Nd2 4_456 . 136.57(3) Sn Sn4 Nd1 2_565 4_456 126.1(3) Li1 Sn4 Nd1 2_565 4_456 126.1(3) Sn6 Sn4 Nd1 4_456 4_456 65.87(2) Sn3 Sn4 Nd1 2 4_456 118.24(3) Nd3 Sn4 Nd1 2 4_456 73.39(2) Nd1 Sn4 Nd1 4_556 4_456 140.16(3) Nd5 Sn4 Nd1 4_456 4_456 76.33(2) Nd2 Sn4 Nd1 . 4_456 132.31(3) Sn Sn4 Nd4 2_565 2 130.1(3) Li1 Sn4 Nd4 2_565 2 130.1(3) Sn6 Sn4 Nd4 4_456 2 57.56(2) Sn3 Sn4 Nd4 2 2 60.76(2) Nd3 Sn4 Nd4 2 2 83.81(2) Nd1 Sn4 Nd4 4_556 2 129.67(3) Nd5 Sn4 Nd4 4_456 2 147.56(3) Nd2 Sn4 Nd4 . 2 71.04(2) Nd1 Sn4 Nd4 4_456 2 71.27(2) Li1 Sn5 Li2 . 2_565 128.5(4) Li1 Sn5 Sn3 . 3 116.2(3) Li2 Sn5 Sn3 2_565 3 73.1(4) Li1 Sn5 Sn2 . 3 68.3(3) Li2 Sn5 Sn2 2_565 3 61.8(4) Sn3 Sn5 Sn2 3 3 85.90(3) Li1 Sn5 Li2 . 3_655 127.9(5) Li2 Sn5 Li2 2_565 3_655 65.6(2) Sn3 Sn5 Li2 3 3_655 115.8(3) Sn2 Sn5 Li2 3 3_655 112.4(3) Li1 Sn5 Nd3 . 3_655 74.5(3) Li2 Sn5 Nd3 2_565 3_655 133.0(4) Sn3 Sn5 Nd3 3 3_655 139.64(3) Sn2 Sn5 Nd3 3 3_655 131.46(3) Li2 Sn5 Nd3 3_655 3_655 68.7(3) Li1 Sn5 Nd1 . . 76.8(3) Li2 Sn5 Nd1 2_565 . 142.1(4) Sn3 Sn5 Nd1 3 . 69.80(3) Sn2 Sn5 Nd1 3 . 122.18(3) Li2 Sn5 Nd1 3_655 . 125.4(3) Nd3 Sn5 Nd1 3_655 . 75.93(2) Li1 Sn5 Nd5 . 3_655 72.9(3) Li2 Sn5 Nd5 2_565 3_655 72.3(4) Sn3 Sn5 Nd5 3 3_655 140.18(3) Sn2 Sn5 Nd5 3 3_655 60.51(2) Li2 Sn5 Nd5 3_655 3_655 65.4(3) Nd3 Sn5 Nd5 3_655 3_655 79.72(2) Nd1 Sn5 Nd5 . 3_655 145.17(3) Li1 Sn5 Nd4 . 3_655 149.6(3) Li2 Sn5 Nd4 2_565 3_655 81.6(4) Sn3 Sn5 Nd4 3 3_655 62.86(3) Sn2 Sn5 Nd4 3 3_655 137.90(3) Li2 Sn5 Nd4 3_655 3_655 64.3(3) Nd3 Sn5 Nd4 3_655 3_655 88.28(2) Nd1 Sn5 Nd4 . 3_655 74.70(2) Nd5 Sn5 Nd4 3_655 3_655 129.26(3) Sn4 Sn6 Sn1 4_556 . 150.35(4) Sn4 Sn6 Sn7 4_556 . 96.52(3) Sn1 Sn6 Sn7 . . 63.71(2) Sn4 Sn6 Nd4 4_556 3_655 71.13(3) Sn1 Sn6 Nd4 . 3_655 138.37(3) Sn7 Sn6 Nd4 . 3_655 129.47(3) Sn4 Sn6 Nd2 4_556 4_456 140.33(3) Sn1 Sn6 Nd2 . 4_456 65.73(2) Sn7 Sn6 Nd2 . 4_456 122.45(3) Nd4 Sn6 Nd2 3_655 4_456 77.70(2) Sn4 Sn6 Nd2 4_556 . 128.51(3) Sn1 Sn6 Nd2 . . 63.35(3) Sn7 Sn6 Nd2 . . 61.36(2) Nd4 Sn6 Nd2 3_655 . 87.93(3) Nd2 Sn6 Nd2 4_456 . 72.71(2) Sn4 Sn6 Nd3 4_556 . 88.23(3) Sn1 Sn6 Nd3 . . 63.15(2) Sn7 Sn6 Nd3 . . 60.64(2) Nd4 Sn6 Nd3 3_655 . 157.25(3) Nd2 Sn6 Nd3 4_456 . 115.79(3) Nd2 Sn6 Nd3 . . 113.08(2) Sn4 Sn6 Li1 4_556 3_545 117.3(3) Sn1 Sn6 Li1 . 3_545 56.3(3) Sn7 Sn6 Li1 . 3_545 108.5(3) Nd4 Sn6 Li1 3_655 3_545 120.9(3) Nd2 Sn6 Li1 4_456 3_545 60.4(3) Nd2 Sn6 Li1 . 3_545 113.9(3) Nd3 Sn6 Li1 . 3_545 59.9(3) Sn4 Sn6 Nd1 4_556 . 62.93(2) Sn1 Sn6 Nd1 . . 119.39(3) Sn7 Sn6 Nd1 . . 143.33(3) Nd4 Sn6 Nd1 3_655 . 75.01(2) Nd2 Sn6 Nd1 4_456 . 85.98(2) Nd2 Sn6 Nd1 . . 155.22(3) Nd3 Sn6 Nd1 . . 87.28(3) Li1 Sn6 Nd1 3_545 . 63.1(3) Sn4 Sn6 Nd2 4_556 4_556 60.49(2) Sn1 Sn6 Nd2 . 4_556 117.85(3) Sn7 Sn6 Nd2 . 4_556 59.74(2) Nd4 Sn6 Nd2 3_655 4_556 72.34(2) Nd2 Sn6 Nd2 4_456 4_556 131.09(3) Nd2 Sn6 Nd2 . 4_556 68.502(19) Nd3 Sn6 Nd2 . 4_556 106.25(2) Li1 Sn6 Nd2 3_545 4_556 166.1(3) Nd1 Sn6 Nd2 . 4_556 120.94(2) Sn1 Sn7 Sn6 1_655 . 126.17(3) Sn1 Sn7 Sn 1_655 3_645 59.2(3) Sn6 Sn7 Sn . 3_645 78.4(3) Sn1 Sn7 Li1 1_655 3_645 59.2(3) Sn6 Sn7 Li1 . 3_645 78.4(3) Sn Sn7 Li1 3_645 3_645 0.0(8) Sn1 Sn7 Nd5 1_655 3_645 118.88(3) Sn6 Sn7 Nd5 . 3_645 114.95(3) Sn Sn7 Nd5 3_645 3_645 141.7(3) Li1 Sn7 Nd5 3_645 3_645 141.7(3) Sn1 Sn7 Sn1 1_655 . 177.32(3) Sn6 Sn7 Sn1 . . 56.51(2) Sn Sn7 Sn1 3_645 . 122.6(3) Li1 Sn7 Sn1 3_645 . 122.6(3) Nd5 Sn7 Sn1 3_645 . 58.443(19) Sn1 Sn7 Nd3 1_655 . 118.55(4) Sn6 Sn7 Nd3 . . 63.63(2) Sn Sn7 Nd3 3_645 . 67.3(3) Li1 Sn7 Nd3 3_645 . 67.3(3) Nd5 Sn7 Nd3 3_645 . 86.14(2) Sn1 Sn7 Nd3 . . 62.01(3) Sn1 Sn7 Nd2 1_655 . 119.04(4) Sn6 Sn7 Nd2 . . 62.97(2) Sn Sn7 Nd2 3_645 . 128.3(3) Li1 Sn7 Nd2 3_645 . 128.3(3) Nd5 Sn7 Nd2 3_645 . 87.71(2) Sn1 Sn7 Nd2 . . 61.72(3) Nd3 Sn7 Nd2 . . 116.90(2) Sn1 Sn7 Nd2 1_655 4_556 64.17(2) Sn6 Sn7 Nd2 . 4_556 67.32(2) Sn Sn7 Nd2 3_645 4_556 61.8(3) Li1 Sn7 Nd2 3_645 4_556 61.8(3) Nd5 Sn7 Nd2 3_645 4_556 156.01(3) Sn1 Sn7 Nd2 . 4_556 118.24(3) Nd3 Sn7 Nd2 . 4_556 114.04(3) Nd2 Sn7 Nd2 . 4_556 71.905(19) Sn1 Sn7 Nd4 1_655 2_655 61.90(2) Sn6 Sn7 Nd4 . 2_655 134.05(3) Sn Sn7 Nd4 3_645 2_655 120.2(3) Li1 Sn7 Nd4 3_645 2_655 120.2(3) Nd5 Sn7 Nd4 3_645 2_655 77.61(2) Sn1 Sn7 Nd4 . 2_655 116.59(3) Nd3 Sn7 Nd4 . 2_655 160.09(3) Nd2 Sn7 Nd4 . 2_655 74.29(2) Nd2 Sn7 Nd4 4_556 2_655 84.61(2) Sn1 Sn7 Nd1 1_655 3_645 62.63(3) Sn6 Sn7 Nd1 . 3_645 132.84(3) Sn Sn7 Nd1 3_645 3_645 69.5(3) Li1 Sn7 Nd1 3_645 3_645 69.5(3) Nd5 Sn7 Nd1 3_645 3_645 76.60(2) Sn1 Sn7 Nd1 . 3_645 115.75(3) Nd3 Sn7 Nd1 . 3_645 72.38(2) Nd2 Sn7 Nd1 . 3_645 161.45(3) Nd2 Sn7 Nd1 4_556 3_645 120.60(3) Nd4 Sn7 Nd1 2_655 3_645 92.49(2) Sn5 Li1 Sn4 . 2_564 117.3(6) Sn5 Li1 Sn1 . 3 112.4(5) Sn4 Li1 Sn1 2_564 3 127.7(6) Sn5 Li1 Sn7 . 3_655 102.1(5) Sn4 Li1 Sn7 2_564 3_655 95.9(5) Sn1 Li1 Sn7 3 3_655 57.9(3) Sn5 Li1 Sn2 . 3 60.1(3) Sn4 Li1 Sn2 2_564 3 98.7(4) Sn1 Li1 Sn2 3 3 119.8(5) Sn7 Li1 Sn2 3_655 3 160.9(6) Sn5 Li1 Nd2 . 2_564 163.7(6) Sn4 Li1 Nd2 2_564 2_564 63.9(3) Sn1 Li1 Nd2 3 2_564 63.8(3) Sn7 Li1 Nd2 3_655 2_564 62.1(3) Sn2 Li1 Nd2 3 2_564 136.1(5) Sn5 Li1 Nd3 . 3 76.5(4) Sn4 Li1 Nd3 2_564 3 144.2(5) Sn1 Li1 Nd3 3 3 62.4(3) Sn7 Li1 Nd3 3_655 3 114.0(5) Sn2 Li1 Nd3 3 3 57.8(3) Nd2 Li1 Nd3 2_564 3 112.4(4) Sn5 Li1 Sn6 . 3 135.2(6) Sn4 Li1 Sn6 2_564 3 96.5(4) Sn1 Li1 Sn6 3 3 54.9(3) Sn7 Li1 Sn6 3_655 3 102.6(4) Sn2 Li1 Sn6 3 3 87.9(4) Nd2 Li1 Sn6 2_564 3 57.3(3) Nd3 Li1 Sn6 3 3 59.3(3) Sn5 Li1 Nd3 . 3_655 58.1(3) Sn4 Li1 Nd3 2_564 3_655 84.9(4) Sn1 Li1 Nd3 3 3_655 109.2(4) Sn7 Li1 Nd3 3_655 3_655 57.9(3) Sn2 Li1 Nd3 3 3_655 111.2(4) Nd2 Li1 Nd3 2_564 3_655 107.1(4) Nd3 Li1 Nd3 3 3_655 127.1(5) Sn6 Li1 Nd3 3 3_655 160.4(5) Sn5 Li1 Nd1 . 3 113.0(5) Sn4 Li1 Nd1 2_564 3 59.7(3) Sn1 Li1 Nd1 3 3 113.5(5) Sn7 Li1 Nd1 3_655 3 143.4(5) Sn2 Li1 Nd1 3 3 55.6(2) Nd2 Li1 Nd1 2_564 3 82.0(3) Nd3 Li1 Nd1 3 3 84.6(4) Sn6 Li1 Nd1 3 3 58.6(3) Nd3 Li1 Nd1 3_655 3 135.6(5) Sn5 Li1 Nd5 . 3_655 61.5(3) Sn4 Li1 Nd5 2_564 3_655 58.9(3) Sn1 Li1 Nd5 3 3_655 173.3(6) Sn7 Li1 Nd5 3_655 3_655 124.7(5) Sn2 Li1 Nd5 3 3_655 55.5(2) Nd2 Li1 Nd5 2_564 3_655 122.8(5) Nd3 Li1 Nd5 3 3_655 112.1(4) Sn6 Li1 Nd5 3 3_655 126.7(4) Nd3 Li1 Nd5 3_655 3_655 70.6(3) Nd1 Li1 Nd5 3 3_655 68.4(3) Sn5 Li1 Nd1 . . 58.0(3) Sn4 Li1 Nd1 2_564 . 147.5(5) Sn1 Li1 Nd1 3 . 57.9(3) Sn7 Li1 Nd1 3_655 . 58.1(3) Sn2 Li1 Nd1 3 . 103.7(4) Nd2 Li1 Nd1 2_564 . 111.4(4) Nd3 Li1 Nd1 3 . 68.3(3) Sn6 Li1 Nd1 3 . 107.4(4) Nd3 Li1 Nd1 3_655 . 65.2(3) Nd1 Li1 Nd1 3 . 152.6(5) Nd5 Li1 Nd1 3_655 . 117.3(4) Sn5 Li2 Sn2 2_564 . 100.5(5) Sn5 Li2 Sn2 2_564 4 61.1(3) Sn2 Li2 Sn2 . 4 161.6(7) Sn5 Li2 Sn3 2_564 . 111.5(6) Sn2 Li2 Sn3 . . 85.0(5) Sn2 Li2 Sn3 4 . 101.0(5) Sn5 Li2 Sn5 2_564 3_645 144.0(7) Sn2 Li2 Sn5 . 3_645 101.4(5) Sn2 Li2 Sn5 4 3_645 95.0(5) Sn3 Li2 Sn5 . 3_645 98.7(5) Sn5 Li2 Li2 2_564 4_455 60.0(6) Sn2 Li2 Li2 . 4_455 58.3(5) Sn2 Li2 Li2 4 4_455 107.7(8) Sn3 Li2 Li2 . 4_455 67.2(5) Sn5 Li2 Li2 3_645 4_455 155.0(9) Sn5 Li2 Li2 2_564 4 89.6(8) Sn2 Li2 Li2 . 4 128.5(9) Sn2 Li2 Li2 4 4 56.5(6) Sn3 Li2 Li2 . 4 137.5(9) Sn5 Li2 Li2 3_645 4 54.4(4) Li2 Li2 Li2 4_455 4 148.9(12) Sn5 Li2 Nd4 2_564 . 115.4(6) Sn2 Li2 Nd4 . . 137.6(6) Sn2 Li2 Nd4 4 . 58.6(3) Sn3 Li2 Nd4 . . 61.8(3) Sn5 Li2 Nd4 3_645 . 62.1(3) Li2 Li2 Nd4 4_455 . 121.3(8) Li2 Li2 Nd4 4 . 75.9(6) Sn5 Li2 Nd5 2_564 . 106.3(5) Sn2 Li2 Nd5 . . 61.9(3) Sn2 Li2 Nd5 4 . 120.9(6) Sn3 Li2 Nd5 . . 133.5(6) Sn5 Li2 Nd5 3_645 . 61.1(3) Li2 Li2 Nd5 4_455 . 112.8(8) Li2 Li2 Nd5 4 . 66.8(6) Nd4 Li2 Nd5 . . 122.8(5) Sn5 Li2 Nd3 2_564 . 157.1(7) Sn2 Li2 Nd3 . . 58.5(3) Sn2 Li2 Nd3 4 . 139.6(6) Sn3 Li2 Nd3 . . 61.5(3) Sn5 Li2 Nd3 3_645 . 56.6(3) Li2 Li2 Nd3 4_455 . 98.5(6) Li2 Li2 Nd3 4 . 110.2(7) Nd4 Li2 Nd3 . . 81.6(4) Nd5 Li2 Nd3 . . 73.2(3) Sn5 Li2 Nd5 2_564 4_455 59.7(3) Sn2 Li2 Nd5 . 4_455 116.1(5) Sn2 Li2 Nd5 4 4_455 56.1(3) Sn3 Li2 Nd5 . 4_455 57.3(3) Sn5 Li2 Nd5 3_645 4_455 131.0(6) Li2 Li2 Nd5 4_455 4_455 59.9(6) Li2 Li2 Nd5 4 4_455 112.5(8) Nd4 Li2 Nd5 . 4_455 68.9(3) Nd5 Li2 Nd5 . 4_455 165.8(6) Nd3 Li2 Nd5 . 4_455 118.7(5) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance Nd1 Sn2 . 3.1844(10) Nd1 Sn5 . 3.2447(10) Nd1 Sn4 4_456 3.2691(11) Nd1 Sn1 3 3.3308(10) Nd1 Sn4 4_556 3.3369(11) Nd1 Sn7 3_655 3.3797(10) Nd1 Sn6 . 3.4200(10) Nd1 Sn3 3 3.5416(11) Nd1 Sn 3_545 3.572(15) Nd1 Li1 3_545 3.572(15) Nd1 Li1 . 3.727(16) Nd1 Nd3 3_655 3.9261(9) Nd2 Sn6 4_556 3.2390(10) Nd2 Sn7 . 3.2925(11) Nd2 Sn4 . 3.3249(10) Nd2 Sn1 . 3.3383(11) Nd2 Sn 2_565 3.347(16) Nd2 Li1 2_565 3.347(16) Nd2 Sn6 . 3.3419(10) Nd2 Sn3 2 3.3482(10) Nd2 Sn7 4_456 3.3533(9) Nd2 Sn1 4_556 3.3869(9) Nd2 Sn6 4_456 3.5822(10) Nd2 Nd2 4_456 3.9021(7) Nd3 Sn5 3_645 3.1354(10) Nd3 Sn2 . 3.1906(9) Nd3 Sn4 2_554 3.2318(10) Nd3 Sn7 . 3.2673(11) Nd3 Sn1 . 3.3393(11) Nd3 Sn3 . 3.3582(10) Nd3 Sn6 . 3.3588(10) Nd3 Sn 3_545 3.380(16) Nd3 Li1 3_545 3.380(16) Nd3 Li2 . 3.501(17) Nd3 Sn 3_645 3.558(16) Nd3 Li1 3_645 3.558(16) Nd4 Sn6 3_645 3.1586(10) Nd4 Sn2 4 3.1779(10) Nd4 Sn1 2_554 3.2807(10) Nd4 Sn3 1_655 3.3024(11) Nd4 Sn3 . 3.3323(11) Nd4 Sn7 2_654 3.3540(10) Nd4 Sn5 3_645 3.3643(10) Nd4 Li2 . 3.431(18) Nd4 Sn4 2_554 3.5414(10) Nd4 Nd2 2_554 3.9931(9) Nd4 Nd1 3_645 4.0108(8) Nd4 Nd2 2_654 4.0134(9) Nd5 Sn1 3_655 3.1359(9) Nd5 Sn7 3_655 3.2089(9) Nd5 Sn2 1_655 3.2110(9) Nd5 Sn3 4 3.2697(10) Nd5 Sn4 4_556 3.2745(10) Nd5 Sn2 . 3.3384(9) Nd5 Sn5 3_645 3.3441(9) Nd5 Li2 . 3.473(18) Nd5 Sn 3_645 3.635(16) Nd5 Li1 3_645 3.635(16) Nd5 Li2 4 3.690(18) Nd5 Nd4 4 4.0359(9) Sn1 Sn6 . 2.9901(10) Sn1 Sn7 1_455 2.9979(9) Sn1 Sn 3_545 3.041(16) Sn1 Li1 3_545 3.041(16) Sn1 Nd5 3_645 3.1360(9) Sn1 Sn7 . 3.2147(9) Sn1 Nd4 2 3.2807(10) Sn1 Nd1 3_545 3.3308(10) Sn1 Nd2 4_456 3.3869(9) Sn2 Li2 . 2.960(18) Sn2 Sn5 3_545 3.0021(10) Sn2 Li2 4_455 3.022(18) Sn2 Nd4 4_455 3.1779(10) Sn2 Nd5 1_455 3.2110(9) Sn2 Sn 3_545 3.219(16) Sn2 Li1 3_545 3.219(16) Sn3 Sn5 3_545 2.9287(11) Sn3 Sn4 2_554 2.9765(10) Sn3 Li2 . 3.022(18) Sn3 Nd5 4_455 3.2697(10) Sn3 Nd4 1_455 3.3024(11) Sn3 Nd2 2_554 3.3482(10) Sn3 Nd1 3_545 3.5417(11) Sn4 Sn 2_565 2.893(16) Sn4 Li1 2_565 2.893(16) Sn4 Sn6 4_456 2.9209(11) Sn4 Sn3 2 2.9765(10) Sn4 Nd3 2 3.2317(10) Sn4 Nd1 4_556 3.2691(11) Sn4 Nd5 4_456 3.2745(10) Sn4 Nd1 4_456 3.3369(11) Sn4 Nd4 2 3.5415(10) Sn5 Li1 . 2.717(16) Sn5 Li2 2_565 2.879(18) Sn5 Sn3 3 2.9287(11) Sn5 Sn2 3 3.0020(10) Sn5 Li2 3_655 3.067(18) Sn5 Nd3 3_655 3.1354(10) Sn5 Nd5 3_655 3.3440(9) Sn5 Nd4 3_655 3.3643(10) Sn6 Sn4 4_556 2.9209(11) Sn6 Sn7 . 3.0981(9) Sn6 Nd4 3_655 3.1586(10) Sn6 Nd2 4_456 3.2390(10) Sn6 Li1 3_545 3.408(16) Sn6 Nd2 4_556 3.5823(10) Sn7 Sn1 1_655 2.9979(9) Sn7 Sn 3_645 3.151(16) Sn7 Li1 3_645 3.151(16) Sn7 Nd5 3_645 3.2090(8) Sn7 Nd2 4_556 3.3533(9) Sn7 Nd4 2_655 3.3540(10) Sn7 Nd1 3_645 3.3798(10) Li1 Sn4 2_564 2.893(16) Li1 Sn1 3 3.041(16) Li1 Sn7 3_655 3.151(16) Li1 Sn2 3 3.219(16) Li1 Nd2 2_564 3.347(16) Li1 Nd3 3 3.380(16) Li1 Sn6 3 3.408(16) Li1 Nd3 3_655 3.558(16) Li1 Nd1 3 3.572(15) Li1 Nd5 3_655 3.635(16) Li2 Sn5 2_564 2.879(18) Li2 Sn2 4 3.022(18) Li2 Sn5 3_645 3.067(18) Li2 Nd5 4_455 3.690(18)