#------------------------------------------------------------------------------ #$Date: 2015-03-25 17:11:55 +0200 (Wed, 25 Mar 2015) $ #$Revision: 134381 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/03/08/4030868.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_4030868 loop_ _publ_author_name 'Eddike, D.' 'Ramdani, A.' 'Brun, G.' 'Liautard, B.' 'Tedenac, J. C.' 'Tillard, M.' 'Belin, C.' _publ_section_title ; Crystal structure of Pb7.12In18.88Se34 ; _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_page_first 309 _journal_page_last 316 _journal_volume 34 _journal_year 1997 _chemical_formula_sum 'In18.88 Pb7.12 Se34' _chemical_formula_weight 6327.67 _space_group_IT_number 55 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 55 _symmetry_space_group_name_Hall '-P 2 2ab' _symmetry_space_group_name_H-M 'P b a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 23.783(5) _cell_length_b 15.781(5) _cell_length_c 4.052(1) _cell_volume 1520.8(7) _diffrn_ambient_temperature 293 _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 46.973 _exptl_crystal_density_diffrn 6.909 _exptl_crystal_F_000 2665 _refine_ls_number_parameters 97 _refine_ls_number_reflns 777 _refine_ls_R_factor_gt 0.067 _[local]_cod_data_source_file EJSSIC-1997-34-309-316.cif _[local]_cod_data_source_block PbInSe _cod_database_code 4030868 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,-y,z 3 1/2+x,1/2-y,-z 4 1/2-x,1/2+y,-z 5 -x,-y,-z 6 x,y,-z 7 1/2-x,1/2+y,z 8 1/2+x,1/2-y,z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pb1 0.025(2) 0.027(2) 0.028(2) 0.0000 0.0000 0.0050(10) Pb2 0.027(2) 0.056(2) 0.031(2) 0.0000 0.0000 0.0140(10) Pb3 0.012(2) 0.020(2) 0.016(2) 0.0000 0.0000 -0.0020(10) In2 0.024(2) 0.023(2) 0.021(3) 0.0000 0.0000 -0.014(2) In3 0.012(2) 0.025(2) 0.024(3) 0.0000 0.0000 -0.006(2) In4 0.018(3) 0.028(3) 0.020(4) 0.0000 0.0000 -0.011(2) In5 0.039(3) 0.015(2) 0.034(4) 0.0000 0.0000 -0.011(2) In7 0.012(2) 0.020(2) 0.016(2) 0.0000 0.0000 -0.0020(10) In1 0.025(2) 0.027(2) 0.028(2) 0.0000 0.0000 0.0050(10) Se1 0.019(3) 0.018(3) 0.012(4) 0.0000 0.0000 0.000(2) Se2 0.009(3) 0.012(2) 0.015(4) 0.0000 0.0000 -0.001(2) Se3 0.009(3) 0.016(3) 0.021(4) 0.0000 0.0000 -0.002(2) Se4 0.009(3) 0.021(3) 0.014(3) 0.0000 0.0000 -0.008(2) Se5 0.010(3) 0.015(2) 0.019(4) 0.0000 0.0000 0.002(2) In6 0.027(2) 0.056(2) 0.031(2) 0.0000 0.0000 0.0140(10) Se6 0.014(3) 0.016(2) 0.020(4) 0.0000 0.0000 0.005(2) Se7 0.018(3) 0.010(2) 0.017(4) 0.0000 0.0000 -0.002(2) Se8 0.014(4) 0.048(6) 0.023(6) 0.0000 0.0000 0.004(4) Se9 0.016(3) 0.020(3) 0.024(4) 0.0000 0.0000 -0.008(2) loop_ _atom_site_label _atom_site_type_symbol _atom_site_thermal_displace_type _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Pb1 Pb Uani 0.21820(10) 0.0793(2) 0.00000 0.80(4) 0.0267(12) Pb2 Pb Uani 0.05910(10) 0.1916(2) 0.00000 0.80(4) 0.0380(12) Pb3 Pb Uani 0.3868(2) 0.2292(2) 0.00000 0.18(4) 0.0160(12) In2 In Uani 0.2480(2) 0.8223(3) 0.50000 1.000 0.0227(14) In3 In Uani 0.3678(2) 0.9278(3) 0.00000 1.000 0.0203(14) In4 In Uani 0.50000 0.00000 0.50000 1.000 0.0220(19) In5 In Uani 0.0832(3) 0.9463(3) 0.50000 1.000 0.0293(18) In7 In Uani 0.3868(2) 0.2292(2) 0.00000 0.82(4) 0.0160(12) In1 In Uani 0.21820(10) 0.0793(2) 0.00000 0.20(4) 0.0267(12) Se1 Se Uani 0.1617(3) 0.8972(4) 0.00000 1.000 0.0163(19) Se2 Se Uani 0.2914(2) 0.9738(3) 0.50000 1.000 0.0120(18) Se3 Se Uani 0.3128(3) 0.7715(3) 0.00000 1.000 0.0153(19) Se4 Se Uani 0.4320(2) 0.0676(4) 0.00000 1.000 0.0147(17) Se5 Se Uani 0.4331(2) 0.8642(4) 0.50000 1.000 0.0147(18) In6 In Uani 0.05910(10) 0.1916(2) 0.00000 0.20(4) 0.0380(12) Se6 Se Uani 0.3136(3) 0.1867(4) 0.50000 1.000 0.0167(18) Se7 Se Uani 0.1255(3) 0.0971(3) 0.50000 1.000 0.0150(18) Se8 Se Uani 0.00000 0.00000 0.00000 1.000 0.028(3) Se9 Se Uani 0.0414(3) 0.7936(4) 0.50000 1.000 0.0200(19) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source In In -0.7276 1.3100 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pb Pb -3.3944 10.1111 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Se Se -0.0929 2.2259 ' 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 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Se6 Pb1 Se7 92.31(13) . . yes Se2 Pb1 Se6 105.76(14) 1_544 . yes Se1 Pb1 Se6 135.80(12) 1_545 . yes Se2 Pb1 Se6 61.48(13) 1_545 . yes Se6 Pb1 Se6 71.16(11) . 1_554 yes Se6 Pb1 Se7 145.51(17) . 1_554 yes Se3 Pb1 Se6 71.39(16) 4_545 . yes Se2 Pb1 Se7 152.69(17) 1_544 . yes Se1 Pb1 Se7 76.94(14) 1_545 . yes Se2 Pb1 Se7 91.22(11) 1_545 . yes Se6 Pb1 Se7 145.51(17) 1_554 . yes Se7 Pb1 Se7 84.70(14) . 1_554 yes Se3 Pb1 Se7 74.70(14) 4_545 . yes Se1 Pb1 Se2 75.83(14) 1_545 1_544 yes Se2 Pb1 Se2 80.13(10) 1_544 1_545 yes Se2 Pb1 Se6 61.48(13) 1_544 1_554 yes Se2 Pb1 Se7 91.22(11) 1_544 1_554 yes Se2 Pb1 Se3 130.14(12) 1_544 4_545 yes Se1 Pb1 Se2 75.83(14) 1_545 1_545 yes Se1 Pb1 Se6 135.80(12) 1_545 1_554 yes Se1 Pb1 Se7 76.94(14) 1_545 1_554 yes Se1 Pb1 Se3 141.3(2) 1_545 4_545 yes Se2 Pb1 Se6 105.76(14) 1_545 1_554 yes Se2 Pb1 Se7 152.69(17) 1_545 1_554 yes Se2 Pb1 Se3 130.14(12) 1_545 4_545 yes Se6 Pb1 Se7 92.31(13) 1_554 1_554 yes Se3 Pb1 Se6 71.39(16) 4_545 1_554 yes Se3 Pb1 Se7 74.70(14) 4_545 1_554 yes Se7 Pb2 Se8 76.63(13) . . yes Se7 Pb2 Se7 86.02(14) . 1_554 yes Se7 Pb2 Se9 151.84(19) . 2_564 yes Se7 Pb2 Se9 90.11(14) . 2_565 yes Se3 Pb2 Se7 72.59(14) 4_545 . yes Se5 Pb2 Se7 141.24(17) 4_545 . yes Se5 Pb2 Se7 88.10(11) 4_546 . yes Se7 Pb2 Se8 76.63(13) 1_554 . yes Se8 Pb2 Se9 75.33(13) . 2_564 yes Se8 Pb2 Se9 75.33(13) . 2_565 yes Se3 Pb2 Se8 137.42(13) 4_545 . yes Se5 Pb2 Se8 138.55(8) 4_545 . yes Se5 Pb2 Se8 138.55(8) 4_546 . yes Se7 Pb2 Se9 90.11(14) 1_554 2_564 yes Se7 Pb2 Se9 151.84(19) 1_554 2_565 yes Se3 Pb2 Se7 72.59(14) 4_545 1_554 yes Se5 Pb2 Se7 88.10(11) 4_545 1_554 yes Se5 Pb2 Se7 141.24(17) 4_546 1_554 yes Se9 Pb2 Se9 80.30(13) 2_564 2_565 yes Se3 Pb2 Se9 132.41(12) 4_545 2_564 yes Se5 Pb2 Se9 66.28(14) 4_545 2_564 yes Se5 Pb2 Se9 111.48(16) 4_546 2_564 yes Se3 Pb2 Se9 132.41(12) 4_545 2_565 yes Se5 Pb2 Se9 111.48(16) 4_545 2_565 yes Se5 Pb2 Se9 66.28(14) 4_546 2_565 yes Se3 Pb2 Se5 69.10(12) 4_545 4_545 yes Se3 Pb2 Se5 69.10(12) 4_545 4_546 yes Se5 Pb2 Se5 73.16(11) 4_545 4_546 yes Se4 Pb3 Se6 91.21(17) . . yes Se4 Pb3 Se6 91.21(17) . 1_554 yes Se1 Pb3 Se4 179.3(3) 4_545 . yes Se4 Pb3 Se9 95.52(19) . 4_545 yes Se4 Pb3 Se9 95.52(19) . 4_546 yes Se6 Pb3 Se6 94.7(2) . 1_554 yes Se1 Pb3 Se6 88.4(2) 4_545 . yes Se6 Pb3 Se9 173.1(2) . 4_545 yes Se6 Pb3 Se9 86.70(15) . 4_546 yes Se1 Pb3 Se6 88.4(2) 4_545 1_554 yes Se6 Pb3 Se9 86.70(15) 1_554 4_545 yes Se6 Pb3 Se9 173.1(2) 1_554 4_546 yes Se1 Pb3 Se9 84.93(18) 4_545 4_545 yes Se1 Pb3 Se9 84.93(18) 4_545 4_546 yes Se9 Pb3 Se9 91.11(19) 4_545 4_546 yes Se7 In1 Se7 84.70(14) . 1_554 yes Se3 In1 Se7 74.70(14) 4_545 . yes Se1 In1 Se2 75.83(14) 1_545 1_544 yes Se2 In1 Se2 80.13(10) 1_544 1_545 yes Se2 In1 Se7 91.22(11) 1_544 1_554 yes Se2 In1 Se3 130.14(12) 1_544 4_545 yes Se1 In1 Se2 75.83(14) 1_545 1_545 yes Se1 In1 Se7 76.94(14) 1_545 1_554 yes Se1 In1 Se3 141.3(2) 1_545 4_545 yes Se2 In1 Se7 152.69(17) 1_545 1_554 yes Se2 In1 Se3 130.14(12) 1_545 4_545 yes Se3 In1 Se7 74.70(14) 4_545 1_554 yes Se2 In1 Se7 152.69(17) 1_544 . yes Se1 In1 Se7 76.94(14) 1_545 . yes Se2 In1 Se7 91.22(11) 1_545 . yes Se1 In2 Se2 85.00(18) . . yes Se1 In2 Se3 90.04(14) . . yes Se1 In2 Se1 81.09(16) . 1_556 yes Se1 In2 Se3 170.99(19) . 1_556 yes Se1 In2 Se6 86.6(2) . 4_556 yes Se2 In2 Se3 92.69(18) . . yes Se1 In2 Se2 85.00(18) 1_556 . yes Se2 In2 Se3 92.69(18) . 1_556 yes Se2 In2 Se6 169.0(3) . 4_556 yes Se1 In2 Se3 170.99(19) 1_556 . yes Se3 In2 Se3 98.8(2) . 1_556 yes Se3 In2 Se6 94.5(2) . 4_556 yes Se1 In2 Se6 86.6(2) 1_556 4_556 yes Se3 In2 Se6 94.5(2) 1_556 4_556 yes Se1 In2 Se3 90.04(14) 1_556 1_556 yes Se2 In3 Se5 85.89(11) 1_554 1_554 yes Se2 In3 Se4 98.93(17) 1_554 1_565 yes Se2 In3 Se3 85.73(18) . . yes Se2 In3 Se5 85.89(11) . . yes Se2 In3 Se2 92.00(17) . 1_554 yes Se2 In3 Se5 172.2(2) . 1_554 yes Se2 In3 Se4 98.93(17) . 1_565 yes Se3 In3 Se5 86.68(19) . . yes Se2 In3 Se3 85.73(18) 1_554 . yes Se3 In3 Se5 86.68(19) . 1_554 yes Se3 In3 Se4 173.3(3) . 1_565 yes Se2 In3 Se5 172.2(2) 1_554 . yes Se5 In3 Se5 95.23(19) . 1_554 yes Se4 In3 Se5 88.78(19) 1_565 . yes Se4 In3 Se5 88.78(19) 1_565 1_554 yes Se4 In4 Se5 87.80(14) . 1_545 yes Se4 In4 Se4 92.56(11) . 1_556 yes Se4 In4 Se4 87.44(11) . 2_655 yes Se4 In4 Se4 180.00 . 2_656 yes Se4 In4 Se5 92.20(14) . 2_665 yes Se4 In4 Se5 87.80(14) 1_556 1_545 yes Se4 In4 Se5 92.20(14) 2_655 1_545 yes Se4 In4 Se5 92.20(14) 2_656 1_545 yes Se5 In4 Se5 180.00 1_545 2_665 yes Se4 In4 Se4 180.00 1_556 2_655 yes Se4 In4 Se4 87.44(11) 1_556 2_656 yes Se4 In4 Se5 92.20(14) 1_556 2_665 yes Se4 In4 Se4 92.56(11) 2_655 2_656 yes Se4 In4 Se5 87.80(14) 2_655 2_665 yes Se4 In4 Se5 87.80(14) 2_656 2_665 yes Se8 In5 Se8 86.53(18) 1_565 1_566 yes Se1 In5 Se9 89.9(2) . . yes Se1 In5 Se1 90.1(2) . 1_556 yes Se1 In5 Se7 89.7(2) . 1_565 yes Se1 In5 Se8 91.67(10) . 1_565 yes Se1 In5 Se8 178.1(2) . 1_566 yes Se1 In5 Se9 89.9(2) 1_556 . yes Se7 In5 Se9 179.5(4) 1_565 . yes Se8 In5 Se9 90.6(2) 1_565 . yes Se8 In5 Se9 90.6(2) 1_566 . yes Se1 In5 Se7 89.7(2) 1_556 1_565 yes Se1 In5 Se8 178.1(2) 1_556 1_565 yes Se1 In5 Se8 91.67(10) 1_556 1_566 yes Se7 In5 Se8 89.81(17) 1_565 1_565 yes Se7 In5 Se8 89.81(17) 1_565 1_566 yes Se7 In6 Se7 86.02(14) . 1_554 yes Se7 In6 Se9 151.84(19) . 2_564 yes Se7 In6 Se9 90.11(14) . 2_565 yes Se7 In6 Se9 90.11(14) 1_554 2_564 yes Se7 In6 Se9 151.84(19) 1_554 2_565 yes Se9 In6 Se9 80.30(13) 2_564 2_565 yes Se1 In7 Se6 88.4(2) 4_545 . yes Se4 In7 Se6 91.21(17) . . yes Se4 In7 Se6 91.21(17) . 1_554 yes Se1 In7 Se4 179.3(3) 4_545 . yes Se4 In7 Se9 95.52(19) . 4_545 yes Se4 In7 Se9 95.52(19) . 4_546 yes Se6 In7 Se6 94.7(2) . 1_554 yes Se1 In7 Se9 84.93(18) 4_545 4_546 yes Se9 In7 Se9 91.11(19) 4_545 4_546 yes Se6 In7 Se9 173.1(2) . 4_545 yes Se6 In7 Se9 86.70(15) . 4_546 yes Se1 In7 Se6 88.4(2) 4_545 1_554 yes Se6 In7 Se9 86.70(15) 1_554 4_545 yes Se6 In7 Se9 173.1(2) 1_554 4_546 yes Se1 In7 Se9 84.93(18) 4_545 4_545 yes In5 Se1 In5 90.1(2) . 1_554 yes In2 Se1 In5 94.13(11) . . yes In2 Se1 In2 81.09(18) . 1_554 yes In2 Se1 In5 172.9(2) . 1_554 yes Pb1 Se1 In2 93.70(19) 1_565 . yes Pb3 Se1 In2 85.12(18) 4_555 . yes In2 Se1 In5 172.9(2) 1_554 . yes Pb3 Se1 In5 89.3(2) 4_555 1_554 yes In2 Se1 In5 94.13(11) 1_554 1_554 yes Pb1 Se1 In5 91.78(19) 1_565 . yes Pb3 Se1 In5 89.3(2) 4_555 . yes Pb1 Se1 In5 91.78(19) 1_565 1_554 yes Pb1 Se1 In2 93.70(19) 1_565 1_554 yes Pb3 Se1 In2 85.12(18) 4_555 1_554 yes In2 Se2 In3 91.09(17) . . yes Pb1 Se2 In3 163.0(2) 1_565 1_556 yes In2 Se2 In3 91.09(17) . 1_556 yes Pb1 Se2 In2 105.45(16) 1_565 . yes Pb1 Se2 In2 105.45(16) 1_566 . yes In3 Se2 In3 92.00(17) . 1_556 yes Pb1 Se2 In3 91.73(8) 1_565 . yes Pb1 Se2 In3 163.0(2) 1_566 . yes Pb1 Se2 In3 91.73(8) 1_566 1_556 yes Pb1 Se2 Pb1 80.13(12) 1_565 1_566 yes Pb2 Se3 In3 84.6(2) 4_555 . yes In2 Se3 In3 90.30(17) 1_554 . yes Pb1 Se3 In3 165.7(3) 4_555 . yes Pb1 Se3 Pb2 81.18(14) 4_555 4_555 yes In2 Se3 In2 98.8(2) . 1_554 yes Pb1 Se3 In2 98.95(19) 4_555 . yes Pb2 Se3 In2 130.43(14) 4_555 . yes In2 Se3 In3 90.30(17) . . yes Pb1 Se3 In2 98.95(19) 4_555 1_554 yes Pb2 Se3 In2 130.43(14) 4_555 1_554 yes In4 Se4 In7 125.08(15) . . yes Pb3 Se4 In4 125.08(15) . . yes Pb3 Se4 In3 122.5(2) . 1_545 yes Pb3 Se4 In4 125.08(15) . 1_554 yes In4 Se4 In4 92.56(16) . 1_554 yes In3 Se4 In7 122.5(2) 1_545 . yes In3 Se4 In4 90.88(17) 1_545 . yes In3 Se4 In4 90.88(17) 1_545 1_554 yes In4 Se4 In7 125.08(15) 1_554 . yes Pb2 Se5 In3 83.33(12) 4_555 . yes In3 Se5 In4 92.51(19) . 1_565 yes Pb2 Se5 In4 127.64(12) 4_556 1_565 yes Pb2 Se5 Pb2 73.16(13) 4_555 4_556 yes Pb2 Se5 In3 139.8(2) 4_556 . yes In3 Se5 In4 92.51(19) 1_556 1_565 yes Pb2 Se5 In3 139.8(2) 4_555 1_556 yes Pb2 Se5 In3 83.33(12) 4_556 1_556 yes Pb2 Se5 In4 127.64(12) 4_555 1_565 yes In3 Se5 In3 95.23(19) . 1_556 yes Pb1 Se6 Pb1 71.16(14) . 1_556 yes Pb1 Se6 In2 91.9(2) . 4_546 yes Pb3 Se6 Pb3 94.7(2) . 1_556 yes Pb3 Se6 In2 99.0(2) . 4_546 yes In2 Se6 In7 99.0(2) 4_546 . yes Pb1 Se6 In2 91.9(2) 1_556 4_546 yes Pb3 Se6 In2 99.0(2) 1_556 4_546 yes Pb1 Se7 Pb2 88.69(7) . . yes Pb1 Se7 In5 101.50(18) . 1_545 yes Pb1 Se7 Pb1 84.70(19) . 1_556 yes Pb1 Se7 Pb2 153.7(2) . 1_556 yes Pb2 Se7 In5 104.8(2) . 1_545 yes Pb1 Se7 Pb2 153.7(2) 1_556 . yes Pb2 Se7 Pb2 86.02(17) . 1_556 yes In1 Se7 In6 88.69(7) . . yes In1 Se7 In5 101.50(18) . 1_545 yes In5 Se7 In6 104.8(2) 1_545 . yes Pb1 Se7 In5 101.50(18) 1_556 1_545 yes Pb2 Se7 In5 104.8(2) 1_556 1_545 yes Pb1 Se7 Pb2 88.69(7) 1_556 1_556 yes Pb2 Se8 In5 88.73(11) . 1_544 yes Pb2 Se8 In5 88.73(11) . 1_545 yes Pb2 Se8 Pb2 180.00 . 2_555 yes Pb2 Se8 In5 91.27(11) . 2_564 yes Pb2 Se8 In5 91.27(11) . 2_565 yes In5 Se8 In5 86.53(13) 1_544 1_545 yes Pb2 Se8 In5 91.27(11) 2_555 1_544 yes In5 Se8 In5 93.47(13) 1_544 2_564 yes In5 Se8 In5 180.00 1_544 2_565 yes Pb2 Se8 In5 91.27(11) 2_555 1_545 yes In5 Se8 In5 180.00 1_545 2_564 yes In5 Se8 In5 93.47(13) 1_545 2_565 yes Pb2 Se8 In5 88.73(11) 2_555 2_564 yes Pb2 Se8 In5 88.73(11) 2_555 2_565 yes In5 Se8 In5 86.53(13) 2_564 2_565 yes Pb2 Se9 In5 102.8(2) 2_565 . yes Pb2 Se9 In5 102.8(2) 2_566 . yes Pb3 Se9 In5 95.8(2) 4_555 . yes Pb3 Se9 In5 95.8(2) 4_556 . yes Pb2 Se9 Pb2 80.30(17) 2_565 2_566 yes Pb3 Se9 Pb3 91.1(2) 4_555 4_556 yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pb1 Se6 3.482(6) . yes Pb1 Se7 3.007(6) . yes Pb1 Se2 3.148(4) 1_544 yes Pb1 Se1 3.172(7) 1_545 yes Pb1 Se2 3.148(4) 1_545 yes Pb1 Se6 3.482(6) 1_554 yes Pb1 Se7 3.007(6) 1_554 yes Pb1 Se3 3.121(6) 4_545 yes Pb2 Se7 2.970(5) . yes Pb2 Se8 3.334(3) . yes Pb2 Se7 2.970(5) 1_554 yes Pb2 Se9 3.142(6) 2_564 yes Pb2 Se9 3.142(6) 2_565 yes Pb2 Se3 3.297(7) 4_545 yes Pb2 Se5 3.400(6) 4_545 yes Pb2 Se5 3.400(6) 4_546 yes Pb3 Se4 2.768(7) . yes Pb3 Se6 2.754(6) . yes Pb3 Se6 2.754(6) 1_554 yes Pb3 Se1 2.891(7) 4_545 yes Pb3 Se9 2.838(6) 4_545 yes Pb3 Se9 2.838(6) 4_546 yes In1 Se2 3.148(4) 1_544 yes In1 Se1 3.172(7) 1_545 yes In1 Se2 3.148(4) 1_545 yes In1 Se7 3.007(6) 1_554 yes In1 Se3 3.121(6) 4_545 yes In1 Se7 3.007(6) . yes In2 Se3 2.669(5) 1_556 yes In2 Se2 2.604(7) . yes In2 Se6 2.593(8) 4_556 yes In2 Se1 3.117(6) . yes In2 Se3 2.669(5) . yes In2 Se1 3.117(6) 1_556 yes In3 Se3 2.792(7) . yes In3 Se2 2.817(5) . yes In3 Se5 2.743(5) 1_554 yes In3 Se5 2.743(5) . yes In3 Se2 2.817(5) 1_554 yes In3 Se4 2.683(8) 1_565 yes In4 Se4 2.803(4) 1_556 yes In4 Se4 2.803(4) . yes In4 Se5 2.669(6) 1_545 yes In4 Se4 2.803(4) 2_656 yes In4 Se5 2.669(6) 2_665 yes In4 Se4 2.803(4) 2_655 yes In5 Se7 2.584(7) 1_565 yes In5 Se8 2.956(5) 1_565 yes In5 Se1 2.862(7) . yes In5 Se9 2.607(8) . yes In5 Se1 2.862(7) 1_556 yes In5 Se8 2.956(5) 1_566 yes In6 Se7 2.970(5) . yes In6 Se9 3.142(6) 2_565 yes In6 Se9 3.142(6) 2_564 yes In6 Se7 2.970(5) 1_554 yes In7 Se6 2.754(6) 1_554 yes In7 Se6 2.754(6) . yes In7 Se9 2.838(6) 4_546 yes In7 Se1 2.891(7) 4_545 yes In7 Se9 2.838(6) 4_545 yes In7 Se4 2.768(7) . yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_publ_flag Se7 Pb1 Se6 In7 -159.68(19) no Se6 Pb1 Se7 Pb2 120.02(15) no Se8 Pb2 Se7 Pb1 103.02(11) no Se2 In2 Se1 In5 -90.9(2) no Se3 In2 Se1 In5 176.4(2) no Se1 In2 Se2 In3 -93.26(14) no Se3 In2 Se2 In3 -3.45(17) no Se1 In2 Se3 In3 88.5(2) no Se2 In2 Se3 In3 3.48(18) no Se3 In3 Se2 In2 3.31(16) no Se5 In3 Se2 In2 -83.66(19) no Se2 In3 Se3 In2 -3.23(16) no Se5 In3 Se3 In2 82.89(17) no Se9 In5 Se1 In2 -84.3(2) no Se6 In7 Se4 In4 -70.6(2) no Se4 In7 Se6 Pb1 -78.54(17) no