data_global _chemical_name_mineral 'Dadsonite' loop_ _publ_author_name 'Makovicky E' 'Topa D' 'Mumme W G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 44 _journal_year 2006 _journal_page_first 1499 _journal_page_last 1512 _publ_section_title ; The crystal structure of dadsonite Sample: 4-angstrom structure ; _database_code_amcsd 0006134 _chemical_compound_source 'Low Tatra Mountains, Slovakia' _chemical_formula_sum 'Pb10.57 Sb13.43 Cl.5 S30' _cell_length_a 4.1382 _cell_length_b 17.394 _cell_length_c 19.071 _cell_angle_alpha 96.442 _cell_angle_beta 90.113 _cell_angle_gamma 90.775 _cell_volume 1363.927 _exptl_crystal_density_diffrn 5.850 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Pb1 0.48704 0.17595 0.28094 1.00000 0.02130 Pb2 0.46610 0.76339 0.10512 1.00000 0.02290 Pb3 0.47037 0.26952 0.49481 1.00000 0.02380 Pb4 0.50672 0.11125 0.07055 1.00000 0.02870 Pb5 0.45958 0.65206 0.27908 1.00000 0.02460 Sb1 0.88034 0.54324 0.09268 1.00000 0.01550 Sb2 0.98781 0.96570 0.19670 0.71500 0.01970 Pb6 0.99357 0.96340 0.20840 0.28500 0.01970 Sb3 0.31642 0.48052 0.42005 1.00000 0.02290 Sb4 0.84048 0.40830 0.24935 1.00000 0.02310 Sb5 0.00636 0.85307 0.35688 1.00000 0.04140 Sb6 0.10149 0.32827 0.07603 1.00000 0.02500 Sb7 0.98638 0.06010 0.40890 0.49000 0.02200 Sb8 0.99359 0.06610 0.43920 0.51000 0.02300 Cl 0.00000 0.00000 0.00000 0.50000 0.09600 S1 0.97300 0.39860 0.48350 1.00000 0.02100 S2 0.99200 0.72320 0.39070 1.00000 0.01900 S3 0.97200 0.79100 0.00490 1.00000 0.01800 S4 0.99500 0.19560 0.39400 1.00000 0.01900 S5 0.96200 0.66710 0.17430 1.00000 0.01900 S6 0.47700 0.61260 0.01710 1.00000 0.02200 S7 0.48800 0.81620 0.26970 1.00000 0.02600 S8 0.99900 0.10910 0.18110 1.00000 0.02000 S9 0.48800 0.94180 0.11070 1.00000 0.05100 S10 0.46300 0.49130 0.17700 1.00000 0.02300 S11 0.52200 0.27050 0.14410 1.00000 0.02300 S12 0.49900 0.89010 0.47070 1.00000 0.04400 S13 0.48900 0.02880 0.32490 1.00000 0.03700 S14 0.94100 0.52850 0.33110 1.00000 0.01600 S15 0.41900 0.35920 0.32850 1.00000 0.02300 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 Pb1 0.02340 0.02120 0.01930 -0.00060 0.00000 0.00290 Pb2 0.02290 0.02800 0.01810 -0.00040 0.00060 0.00400 Pb3 0.02500 0.02340 0.02210 -0.00360 0.00180 -0.00100 Pb4 0.02790 0.03440 0.02400 0.00300 -0.00060 0.00400 Pb5 0.02430 0.03080 0.01980 0.00270 0.00180 0.00750 Sb1 0.01940 0.01690 0.01150 -0.00240 0.00060 0.00770 Sb3 0.02300 0.02640 0.02040 -0.00860 -0.00400 0.00920 Sb4 0.02930 0.02030 0.01920 -0.00290 0.00620 0.00100 Sb5 0.03960 0.01630 0.06900 0.00140 0.00890 0.00930 Sb6 0.03620 0.02000 0.01860 0.00680 -0.00570 0.00010 S1 0.02600 0.01700 0.02100 -0.00400 0.00500 0.00600 S2 0.02100 0.01900 0.01800 0.00000 0.00100 0.00800 S3 0.02000 0.01900 0.01400 0.00000 0.00100 0.00500 S4 0.01800 0.02200 0.01600 -0.00100 -0.00100 0.00100 S5 0.01800 0.02100 0.01900 0.00100 -0.00300 0.00500 S6 0.02300 0.02100 0.02100 -0.00200 -0.00100 0.00100 S7 0.04200 0.01400 0.02300 0.00000 0.00800 0.00400 S8 0.02000 0.02200 0.01800 0.00000 -0.00100 0.00400 S9 0.11300 0.01400 0.02500 0.00000 0.00700 -0.00200 S10 0.02700 0.02300 0.01800 -0.00100 -0.00100 0.00100 S11 0.03700 0.01400 0.01800 -0.00300 -0.01000 0.00200 S12 0.09700 0.01600 0.01800 -0.00300 0.00700 0.00100 S13 0.07000 0.01600 0.02500 -0.00200 0.00100 0.00500 S14 0.02000 0.01500 0.01400 0.00100 -0.00200 0.00400 S15 0.03100 0.01700 0.02000 -0.00300 0.00300 -0.00100