# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name 'Zvereva, E.A.' 'Evstigneeva, M.A.' 'Nalbandyan, V.B.' 'Savelieva, O.A.' 'Ibragimov, S.A.' 'Volkova, O.S.' 'Medvedeva, L.I.' 'Vasiliev, A.N.' 'Klingeler, R.' 'Buchner, B.' _publ_contact_author_address ; Faculty of Physics, Moscow State University, 119991 Moscow, Russia ; _publ_contact_author_email zvereva@mig.phys.msu.ru _publ_contact_author_name 'Dr. E.A. Zvereva' _publ_section_title ; Monoclinic Honeycomb-Layered Compound Li3Ni2SbO6: Preparation, Crystal Structure, Magnetic and Resonant Properties ; data_Li3Ni2SbO6 _database_code_depnum_ccdc_archive 'CCDC 836986' #TrackingRef '- CIF-Li3Ni2SbO6-DT-ART-07-2011-011322.cif' _refine_ls_R_factor_gt ? #Added by publCIF _refine_ls_weighting_scheme ? #Added by publCIF _diffrn_reflns_theta_max ? #Added by publCIF _refine_ls_extinction_method ? #Added by publCIF _diffrn_radiation_source ? #Added by publCIF _publ_section_exptl_refinement ; (type here to add refinement details) ; #Added by publCIF _publ_section_exptl_prep ; (type here to add preparation details) ; #Added by publCIF _cell_volume 225.702(16) #Added by publCIF _cell_measurement_temperature 298 #Added by publCIF _diffrn_radiation_type CuK\a~1~ #Added by publCIF _diffrn_radiation_wavelength 1.5406 #Added by publCIF _audit_creation_method 'from EXP file using GSAS2' _audit_creation_date 11-06-18 _audit_update_record ; 11-06-18 2011-07-19 # Formatted by publCIF ; _refine_ls_shift/su_max 0.2 _refine_ls_shift/su_mean 0.03 _computing_structure_refinement GSAS _refine_ls_number_parameters 35 _refine_ls_goodness_of_fit_all 1.15 _refine_ls_number_restraints 0 _refine_ls_matrix_type full _chemical_formula_sum 'Li3 Ni2 O6 Sb' _chemical_formula_structural Li3Ni2SbO6 _chemical_name_common ; Lithium Nickel Antimonate ; _chemical_name_systematic ; Lithium Nickel Antimony Oxide ; _chemical_name_structure_type ; Li3Zn2SbO6 ; _chemical_compound_source ; Solid State Synthesis ; _diffrn_ambient_temperature 298 _chemical_formula_weight 355.949 _cell_length_a 5.1828(2) _cell_length_b 8.9678(3) _cell_length_c 5.1578(2) _cell_angle_alpha 90.000 _cell_angle_beta 109.695(2) _cell_angle_gamma 90.000 _cell_formula_units_Z 2 _symmetry_int_tables_number 12 _symmetry_space_group_name_H-M 'C 1 2/m 1' _symmetry_space_group_name_Hall -C_2y loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, y, -z' 3 '-x, -y, -z' 4 'x, -y, z' 5 '1/2+x, 1/2+y, z' 6 '1/2-x, 1/2+y, -z' 7 '1/2-x, 1/2-y, -z' 8 '1/2+x, 1/2-y, z' loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_radius_bond Sb 5 1.200 Ni 2 1.200 Li 1 1.200 O -2 1.200 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_attached_hydrogens _atom_site_calc_flag _atom_site_thermal_displace_type _atom_site_u_iso_or_equiv Sb1 Sb 0.0000 0.0000 0.0000 1.000 2 a ? d Uiso 0.0109(4) Ni2 Ni 0.0000 0.3337(3) 0.0000 1.000 4 g ? d Uiso 0.0058(4) LI3 Li 0.0000 0.164(3) 0.5000 1.000 4 h ? d Uiso 0.050(7) LI4 Li 0.0000 0.5000 0.5000 1.000 2 d ? d Uiso 0.012(6) O5 O 0.7632(20) 0.0000 0.2290(15) 1.000 4 i ? d Uiso 0.0056(21) O6 O 0.2478(17) 0.1605(6) 0.2283(9) 1.000 8 j ? d Uiso 0.0116(12) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag SB1 NI2 2.9923(24) . 1_555 N SB1 NI2 2.9923(24) . -1_555 N SB1 NI2 2.9900(12) . 101_445 N SB1 NI2 2.9900(12) . 101_545 N SB1 NI2 2.9900(12) . -101_345 N SB1 NI2 2.9900(12) . -101_445 N SB1 LI3 2.968(14) . 1_554 N SB1 LI3 2.968(14) . 1_555 N SB1 LI3 2.968(14) . -1_555 N SB1 LI3 2.968(14) . -1_556 N SB1 LI4 2.97683(9) . 101_444 N SB1 LI4 2.97683(9) . 101_545 N SB1 O5 1.969(10) . 1_455 N SB1 O5 1.969(10) . 2_655 N SB1 O6 2.022(6) . 1_555 N SB1 O6 2.022(6) . 2_555 N SB1 O6 2.022(6) . -1_555 N SB1 O6 2.022(6) . -2_555 N NI2 SB1 2.9923(24) . 1_555 N NI2 SB1 2.9900(12) . 101_455 N NI2 SB1 2.9900(12) . 101_555 N NI2 LI3 2.995(15) . 1_554 N NI2 LI3 2.995(15) . 1_555 N NI2 LI3 2.97691(24) . -101_345 N NI2 LI3 2.97691(24) . -101_446 N NI2 LI4 2.9792(12) . 1_554 N NI2 LI4 2.9792(12) . 1_555 N NI2 O5 2.096(6) . 101_455 N NI2 O5 2.096(6) . 102_555 N NI2 O6 2.104(6) . 1_555 N NI2 O6 2.104(6) . 2_555 N NI2 O6 2.034(8) . -101_445 N NI2 O6 2.034(8) . -102_345 N LI3 SB1 2.968(14) . 1_555 N LI3 SB1 2.968(14) . 1_556 N LI3 NI2 2.995(15) . 1_555 N LI3 NI2 2.995(15) . 1_556 N LI3 NI2 2.97691(24) . -101_345 N LI3 NI2 2.97691(24) . -101_446 N LI3 LI3 2.94(6) . -1_556 N LI3 LI3 3.017(30) . -101_346 N LI3 LI3 3.017(30) . -101_446 N LI3 LI4 3.014(29) . 1_555 N LI3 LI4 2.979(14) . 101_445 N LI3 LI4 2.979(14) . 101_545 N LI3 O5 2.113(19) . 1_455 N LI3 O5 2.113(19) . 2_656 N LI3 O6 2.197(8) . 1_555 N LI3 O6 2.197(8) . 2_556 N LI3 O6 2.217(20) . -101_446 N LI3 O6 2.217(20) . -102_345 N LI4 SB1 2.97683(9) . 101_455 N LI4 SB1 2.97683(9) . 101_556 N LI4 NI2 2.9792(12) . 1_555 N LI4 NI2 2.9792(12) . 1_556 N LI4 NI2 2.9792(12) . -1_565 N LI4 NI2 2.9792(12) . -1_566 N LI4 LI3 3.014(29) . 1_555 N LI4 LI3 3.014(29) . -1_566 N LI4 LI3 2.979(14) . 101_455 N LI4 LI3 2.979(14) . 101_555 N LI4 LI3 2.979(14) . -101_346 N LI4 LI3 2.979(14) . -101_446 N LI4 O5 2.258(10) . 101_455 N LI4 O5 2.258(10) . 102_556 N LI4 O6 2.124(6) . 101_455 N LI4 O6 2.124(6) . 102_556 N LI4 O6 2.124(6) . -101_446 N LI4 O6 2.124(6) . -102_345 N O5 SB1 1.969(10) . 1_655 N O5 NI2 2.096(6) . 101_545 N O5 NI2 2.096(6) . -101_445 N O5 LI3 2.113(19) . 1_655 N O5 LI3 2.113(19) . -1_656 N O5 LI4 2.258(10) . 101_545 N O6 SB1 2.022(6) . 1_555 N O6 NI2 2.104(6) . 1_555 N O6 NI2 2.034(8) . -101_445 N O6 LI3 2.197(8) . 1_555 N O6 LI3 2.217(20) . -101_446 N O6 LI4 2.124(6) . 101_545 N loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag LI3 SB1 LI3 120.6(10) 1_554 . 1_555 N LI3 SB1 LI3 59.4(10) 1_554 . -1_555 N LI3 SB1 LI3 180.0 1_554 . -1_556 N LI3 SB1 LI4 60.15(16) 1_554 . 101_444 N LI3 SB1 LI4 119.85(16) 1_554 . 101_545 N LI3 SB1 O5 134.71(28) 1_554 . 1_455 N LI3 SB1 O5 45.29(28) 1_554 . 2_655 N LI3 SB1 O6 88.1(4) 1_554 . 1_555 N LI3 SB1 O6 47.7(4) 1_554 . 2_555 N LI3 SB1 O6 91.9(4) 1_554 . -1_555 N LI3 SB1 O6 132.3(4) 1_554 . -2_555 N LI3 SB1 LI3 180.0 1_555 . -1_555 N LI3 SB1 LI3 59.4(10) 1_555 . -1_556 N LI3 SB1 LI4 119.85(16) 1_555 . 101_444 N LI3 SB1 LI4 60.15(16) 1_555 . 101_545 N LI3 SB1 O5 45.29(28) 1_555 . 1_455 N LI3 SB1 O5 134.71(28) 1_555 . 2_655 N LI3 SB1 O6 47.7(4) 1_555 . 1_555 N LI3 SB1 O6 88.1(4) 1_555 . 2_555 N LI3 SB1 O6 132.3(4) 1_555 . -1_555 N LI3 SB1 O6 91.9(4) 1_555 . -2_555 N LI3 SB1 LI3 120.6(10) -1_555 . -1_556 N LI3 SB1 LI4 60.15(16) -1_555 . 101_444 N LI3 SB1 LI4 119.85(16) -1_555 . 101_545 N LI3 SB1 O5 134.71(28) -1_555 . 1_455 N LI3 SB1 O5 45.29(28) -1_555 . 2_655 N LI3 SB1 O6 132.3(4) -1_555 . 1_555 N LI3 SB1 O6 91.9(4) -1_555 . 2_555 N LI3 SB1 O6 47.7(4) -1_555 . -1_555 N LI3 SB1 O6 88.1(4) -1_555 . -2_555 N LI3 SB1 LI4 119.85(16) -1_556 . 101_444 N LI3 SB1 LI4 60.15(16) -1_556 . 101_545 N LI3 SB1 O5 45.29(28) -1_556 . 1_455 N LI3 SB1 O5 134.71(28) -1_556 . 2_655 N LI3 SB1 O6 91.9(4) -1_556 . 1_555 N LI3 SB1 O6 132.3(4) -1_556 . 2_555 N LI3 SB1 O6 88.1(4) -1_556 . -1_555 N LI3 SB1 O6 47.7(4) -1_556 . -2_555 N LI4 SB1 LI4 180.0 101_444 . 101_545 N LI4 SB1 O5 89.03(24) 101_444 . 1_455 N LI4 SB1 O5 90.97(24) 101_444 . 2_655 N LI4 SB1 O6 134.52(16) 101_444 . 1_555 N LI4 SB1 O6 45.48(16) 101_444 . 2_555 N LI4 SB1 O6 45.48(16) 101_444 . -1_555 N LI4 SB1 O6 134.52(16) 101_444 . -2_555 N LI4 SB1 O5 90.97(24) 101_545 . 1_455 N LI4 SB1 O5 89.03(24) 101_545 . 2_655 N LI4 SB1 O6 45.48(16) 101_545 . 1_555 N LI4 SB1 O6 134.52(16) 101_545 . 2_555 N LI4 SB1 O6 134.52(16) 101_545 . -1_555 N LI4 SB1 O6 45.48(16) 101_545 . -2_555 N O5 SB1 O5 180.0 1_455 . 2_655 N O5 SB1 O6 93.01(20) 1_455 . 1_555 N O5 SB1 O6 86.99(20) 1_455 . 2_555 N O5 SB1 O6 86.99(20) 1_455 . -1_555 N O5 SB1 O6 93.01(20) 1_455 . -2_555 N O5 SB1 O6 86.99(20) 2_655 . 1_555 N O5 SB1 O6 93.01(20) 2_655 . 2_555 N O5 SB1 O6 93.01(20) 2_655 . -1_555 N O5 SB1 O6 86.99(20) 2_655 . -2_555 N O6 SB1 O6 89.22(34) 1_555 . 2_555 N O6 SB1 O6 179.9557 1_555 . -1_555 N O6 SB1 O6 90.78(34) 1_555 . -2_555 N O6 SB1 O6 90.78(34) 2_555 . -1_555 N O6 SB1 O6 180.0 2_555 . -2_555 N O6 SB1 O6 89.22(34) -1_555 . -2_555 N O5 NI2 O5 89.3(4) 101_455 . 102_555 N O5 NI2 O6 92.93(25) 101_455 . 1_555 N O5 NI2 O6 177.29(25) 101_455 . 2_555 N O5 NI2 O6 83.39(25) 101_455 . -101_555 N O5 NI2 O6 94.52(28) 101_455 . -102_455 N O5 NI2 O6 177.29(25) 102_555 . 1_555 N O5 NI2 O6 92.93(25) 102_555 . 2_555 N O5 NI2 O6 94.52(28) 102_555 . -101_555 N O5 NI2 O6 83.39(25) 102_555 . -102_455 N O6 NI2 O6 84.90(35) 1_555 . 2_555 N O6 NI2 O6 87.30(22) 1_555 . -101_555 N O6 NI2 O6 94.87(22) 1_555 . -102_455 N O6 NI2 O6 94.87(22) 2_555 . -101_555 N O6 NI2 O6 87.30(22) 2_555 . -102_455 N O6 NI2 O6 177.1(4) -101_555 . -102_455 N SB1 LI3 SB1 120.6(10) 1_555 . 1_556 N SB1 LI3 LI3 60.3(5) 1_555 . -1_556 N SB1 LI3 LI3 120.33(13) 1_555 . -101_456 N SB1 LI3 LI3 90.11(26) 1_555 . -101_556 N SB1 LI3 LI4 119.7(5) 1_555 . 1_555 N SB1 LI3 LI4 90.6(6) 1_555 . 101_445 N SB1 LI3 LI4 60.07(32) 1_555 . 101_545 N SB1 LI3 O5 41.5(4) 1_555 . 1_455 N SB1 LI3 O5 93.5(9) 1_555 . 2_656 N SB1 LI3 O6 42.94(34) 1_555 . 1_555 N SB1 LI3 O6 135.9(9) 1_555 . 2_556 N SB1 LI3 O6 136.7(4) 1_555 . -101_556 N SB1 LI3 O6 88.58(13) 1_555 . -102_455 N SB1 LI3 LI3 60.3(5) 1_556 . -1_556 N SB1 LI3 LI3 90.11(26) 1_556 . -101_456 N SB1 LI3 LI3 120.33(13) 1_556 . -101_556 N SB1 LI3 LI4 119.7(5) 1_556 . 1_555 N SB1 LI3 LI4 60.07(32) 1_556 . 101_445 N SB1 LI3 LI4 90.6(6) 1_556 . 101_545 N SB1 LI3 O5 93.5(9) 1_556 . 1_455 N SB1 LI3 O5 41.5(4) 1_556 . 2_656 N SB1 LI3 O6 135.9(9) 1_556 . 1_555 N SB1 LI3 O6 42.94(34) 1_556 . 2_556 N SB1 LI3 O6 88.58(13) 1_556 . -101_556 N SB1 LI3 O6 136.7(4) 1_556 . -102_455 N LI3 LI3 LI3 120.8(10) -1_556 . -101_456 N LI3 LI3 LI3 120.8(10) -1_556 . -101_556 N LI3 LI3 LI4 180.0 -1_556 . 1_555 N LI3 LI3 LI4 60.4(5) -1_556 . 101_445 N LI3 LI3 LI4 60.4(5) -1_556 . 101_545 N LI3 LI3 O5 45.9(6) -1_556 . 1_455 N LI3 LI3 O5 45.9(6) -1_556 . 2_656 N LI3 LI3 O6 89.2(8) -1_556 . 1_555 N LI3 LI3 O6 89.2(8) -1_556 . 2_556 N LI3 LI3 O6 135.2(6) -1_556 . -101_556 N LI3 LI3 O6 135.2(6) -1_556 . -102_455 N LI3 LI3 LI3 118.4(19) -101_456 . -101_556 N LI3 LI3 LI4 59.2(10) -101_456 . 1_555 N LI3 LI3 LI4 60.4(5) -101_456 . 101_445 N LI3 LI3 LI4 178.8(14) -101_456 . 101_545 N LI3 LI3 O5 92.8(4) -101_456 . 1_455 N LI3 LI3 O5 131.6(5) -101_456 . 2_656 N LI3 LI3 O6 133.9(11) -101_456 . 1_555 N LI3 LI3 O6 47.17(16) -101_456 . 2_556 N LI3 LI3 O6 87.7(12) -101_456 . -101_556 N LI3 LI3 O6 46.6(6) -101_456 . -102_455 N LI3 LI3 LI4 59.2(10) -101_556 . 1_555 N LI3 LI3 LI4 178.8(14) -101_556 . 101_445 N LI3 LI3 LI4 60.4(5) -101_556 . 101_545 N LI3 LI3 O5 131.6(5) -101_556 . 1_455 N LI3 LI3 O5 92.8(4) -101_556 . 2_656 N LI3 LI3 O6 47.17(16) -101_556 . 1_555 N LI3 LI3 O6 133.9(11) -101_556 . 2_556 N LI3 LI3 O6 46.6(6) -101_556 . -101_556 N LI3 LI3 O6 87.7(12) -101_556 . -102_455 N LI4 LI3 LI4 119.6(5) 1_555 . 101_445 N LI4 LI3 LI4 119.6(5) 1_555 . 101_545 N LI4 LI3 O5 134.1(6) 1_555 . 1_455 N LI4 LI3 O5 134.1(6) 1_555 . 2_656 N LI4 LI3 O6 90.8(8) 1_555 . 1_555 N LI4 LI3 O6 90.8(8) 1_555 . 2_556 N LI4 LI3 O6 44.8(6) 1_555 . -101_556 N LI4 LI3 O6 44.8(6) 1_555 . -102_455 N LI4 LI3 LI4 120.9(10) 101_445 . 101_545 N LI4 LI3 O5 49.1(4) 101_445 . 1_455 N LI4 LI3 O5 88.2(8) 101_445 . 2_656 N LI4 LI3 O6 133.5(9) 101_445 . 1_555 N LI4 LI3 O6 45.40(29) 101_445 . 2_556 N LI4 LI3 O6 132.67(35) 101_445 . -101_556 N LI4 LI3 O6 91.31(22) 101_445 . -102_455 N LI4 LI3 O5 88.2(8) 101_545 . 1_455 N LI4 LI3 O5 49.1(4) 101_545 . 2_656 N LI4 LI3 O6 45.40(29) 101_545 . 1_555 N LI4 LI3 O6 133.5(9) 101_545 . 2_556 N LI4 LI3 O6 91.31(22) 101_545 . -101_556 N LI4 LI3 O6 132.67(35) 101_545 . -102_455 N O5 LI3 O5 91.9(13) 1_455 . 2_656 N O5 LI3 O6 84.4(6) 1_455 . 1_555 N O5 LI3 O6 94.5(6) 1_455 . 2_556 N O5 LI3 O6 177.9(7) 1_455 . -101_556 N O5 LI3 O6 89.35(22) 1_455 . -102_455 N O5 LI3 O6 94.5(6) 2_656 . 1_555 N O5 LI3 O6 84.4(6) 2_656 . 2_556 N O5 LI3 O6 89.35(22) 2_656 . -101_556 N O5 LI3 O6 177.9(7) 2_656 . -102_455 N O6 LI3 O6 178.4(16) 1_555 . 2_556 N O6 LI3 O6 93.8(6) 1_555 . -101_556 N O6 LI3 O6 87.3(5) 1_555 . -102_455 N O6 LI3 O6 87.3(5) 2_556 . -101_556 N O6 LI3 O6 93.8(6) 2_556 . -102_455 N O6 LI3 O6 89.5(11) -101_556 . -102_455 N SB1 LI4 SB1 180.0 101_455 . 101_556 N SB1 LI4 LI3 90.0 101_455 . 1_555 N SB1 LI4 LI3 90.0 101_455 . -1_566 N SB1 LI4 LI3 59.78(16) 101_455 . 101_455 N SB1 LI4 LI3 120.22(16) 101_455 . 101_555 N SB1 LI4 LI3 59.78(16) 101_455 . -101_456 N SB1 LI4 LI3 120.22(16) 101_455 . -101_556 N SB1 LI4 O5 89.70(21) 101_455 . 101_455 N SB1 LI4 O5 90.30(21) 101_455 . 102_556 N SB1 LI4 O6 42.77(16) 101_455 . 101_455 N SB1 LI4 O6 137.23(16) 101_455 . 102_556 N SB1 LI4 O6 137.23(16) 101_455 . -101_556 N SB1 LI4 O6 42.77(16) 101_455 . -102_455 N SB1 LI4 LI3 90.0 101_556 . 1_555 N SB1 LI4 LI3 90.0 101_556 . -1_566 N SB1 LI4 LI3 120.22(16) 101_556 . 101_455 N SB1 LI4 LI3 59.78(16) 101_556 . 101_555 N SB1 LI4 LI3 120.22(16) 101_556 . -101_456 N SB1 LI4 LI3 59.78(16) 101_556 . -101_556 N SB1 LI4 O5 90.30(21) 101_556 . 101_455 N SB1 LI4 O5 89.70(21) 101_556 . 102_556 N SB1 LI4 O6 137.23(16) 101_556 . 101_455 N SB1 LI4 O6 42.77(16) 101_556 . 102_556 N SB1 LI4 O6 42.77(16) 101_556 . -101_556 N SB1 LI4 O6 137.23(16) 101_556 . -102_455 N LI3 LI4 LI3 180.0 1_555 . -1_566 N LI3 LI4 LI3 119.6(5) 1_555 . 101_455 N LI3 LI4 LI3 119.6(5) 1_555 . 101_555 N LI3 LI4 LI3 60.4(5) 1_555 . -101_456 N LI3 LI4 LI3 60.4(5) 1_555 . -101_556 N LI3 LI4 O5 90.0 1_555 . 101_455 N LI3 LI4 O5 90.0 1_555 . 102_556 N LI3 LI4 O6 132.68(16) 1_555 . 101_455 N LI3 LI4 O6 132.68(16) 1_555 . 102_556 N LI3 LI4 O6 47.32(16) 1_555 . -101_556 N LI3 LI4 O6 47.32(16) 1_555 . -102_455 N LI3 LI4 LI3 60.4(5) -1_566 . 101_455 N LI3 LI4 LI3 60.4(5) -1_566 . 101_555 N LI3 LI4 LI3 119.6(5) -1_566 . -101_456 N LI3 LI4 LI3 119.6(5) -1_566 . -101_556 N LI3 LI4 O5 90.0 -1_566 . 101_455 N LI3 LI4 O5 90.0 -1_566 . 102_556 N LI3 LI4 O6 47.32(16) -1_566 . 101_455 N LI3 LI4 O6 47.32(16) -1_566 . 102_556 N LI3 LI4 O6 132.68(16) -1_566 . -101_556 N LI3 LI4 O6 132.68(16) -1_566 . -102_455 N LI3 LI4 LI3 120.9(10) 101_455 . 101_555 N LI3 LI4 LI3 59.1(10) 101_455 . -101_456 N LI3 LI4 LI3 180.0 101_455 . -101_556 N LI3 LI4 O5 134.98(27) 101_455 . 101_455 N LI3 LI4 O5 45.02(27) 101_455 . 102_556 N LI3 LI4 O6 47.44(34) 101_455 . 101_455 N LI3 LI4 O6 90.4(4) 101_455 . 102_556 N LI3 LI4 O6 132.56(34) 101_455 . -101_556 N LI3 LI4 O6 89.6(4) 101_455 . -102_455 N LI3 LI4 LI3 179.972 101_555 . -101_456 N LI3 LI4 LI3 59.1(10) 101_555 . -101_556 N LI3 LI4 O5 45.02(27) 101_555 . 101_455 N LI3 LI4 O5 134.98(27) 101_555 . 102_556 N LI3 LI4 O6 90.4(4) 101_555 . 101_455 N LI3 LI4 O6 47.44(34) 101_555 . 102_556 N LI3 LI4 O6 89.6(4) 101_555 . -101_556 N LI3 LI4 O6 132.56(34) 101_555 . -102_455 N LI3 LI4 LI3 120.9(10) -101_456 . -101_556 N LI3 LI4 O5 134.98(27) -101_456 . 101_455 N LI3 LI4 O5 45.02(27) -101_456 . 102_556 N LI3 LI4 O6 89.6(4) -101_456 . 101_455 N LI3 LI4 O6 132.56(34) -101_456 . 102_556 N LI3 LI4 O6 90.4(4) -101_456 . -101_556 N LI3 LI4 O6 47.44(34) -101_456 . -102_455 N LI3 LI4 O5 45.02(27) -101_556 . 101_455 N LI3 LI4 O5 134.98(27) -101_556 . 102_556 N LI3 LI4 O6 132.56(34) -101_556 . 101_455 N LI3 LI4 O6 89.6(4) -101_556 . 102_556 N LI3 LI4 O6 47.44(34) -101_556 . -101_556 N LI3 LI4 O6 90.4(4) -101_556 . -102_455 N O5 LI4 O5 179.9802 101_455 . 102_556 N O5 LI4 O6 87.56(19) 101_455 . 101_455 N O5 LI4 O6 92.44(19) 101_455 . 102_556 N O5 LI4 O6 92.44(19) 101_455 . -101_556 N O5 LI4 O6 87.56(19) 101_455 . -102_455 N O5 LI4 O6 92.44(19) 102_556 . 101_455 N O5 LI4 O6 87.56(19) 102_556 . 102_556 N O5 LI4 O6 87.56(19) 102_556 . -101_556 N O5 LI4 O6 92.44(19) 102_556 . -102_455 N O6 LI4 O6 94.64(32) 101_455 . 102_556 N O6 LI4 O6 180.0 101_455 . -101_556 N O6 LI4 O6 85.36(32) 101_455 . -102_455 N O6 LI4 O6 85.36(32) 102_556 . -101_556 N O6 LI4 O6 180.0 102_556 . -102_455 N O6 LI4 O6 94.64(32) -101_556 . -102_455 N SB1 O5 NI2 94.64(27) 1_655 . 101_545 N SB1 O5 NI2 94.64(27) 1_655 . -101_445 N SB1 O5 LI3 93.2(4) 1_655 . 1_655 N SB1 O5 LI3 93.2(4) 1_655 . -1_656 N SB1 O5 LI4 178.7(4) 1_655 . 101_545 N NI2 O5 NI2 90.7(4) 101_545 . -101_445 N NI2 O5 LI3 172.0(5) 101_545 . 1_655 N NI2 O5 LI3 90.0(6) 101_545 . -1_656 N NI2 O5 LI4 86.25(33) 101_545 . 101_545 N NI2 O5 LI3 90.0(6) -101_555 . 1_655 N NI2 O5 LI3 172.0(5) -101_555 . -1_656 N NI2 O5 LI4 86.25(33) -101_555 . 101_545 N LI3 O5 LI3 88.1(13) 1_655 . -1_656 N LI3 O5 LI4 85.86(27) 1_655 . 101_545 N LI3 O5 LI4 85.86(27) -1_656 . 101_545 N SB1 O6 NI2 92.94(28) 1_555 . 1_555 N SB1 O6 NI2 94.98(23) 1_555 . -101_445 N SB1 O6 LI3 89.3(7) 1_555 . 1_555 N SB1 O6 LI3 175.5(4) 1_555 . -101_556 N SB1 O6 LI4 91.75(22) 1_555 . 101_545 N NI2 O6 NI2 92.70(22) 1_555 . -101_445 N NI2 O6 LI3 88.2(6) 1_555 . 1_555 N NI2 O6 LI3 87.0(5) 1_555 . -101_556 N NI2 O6 LI4 173.39(29) 1_555 . 101_545 N NI2 O6 LI3 175.5(6) -101_555 . 1_555 N NI2 O6 LI3 89.47(31) -101_555 . -101_556 N NI2 O6 LI4 91.53(34) -101_555 . 101_545 N LI3 O6 LI3 86.2(6) 1_555 . -101_556 N LI3 O6 LI4 87.2(5) 1_555 . 101_545 N LI3 O6 LI4 87.9(6) -101_556 . 101_545 N