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: 8-angstrom structure ; _database_code_amcsd 0006133 _chemical_compound_source 'Low Tatra Mountains, Slovakia' _chemical_formula_sum 'Pb21.994 Sb26.006 Cl S60' _cell_length_a 8.276 _cell_length_b 17.392 _cell_length_c 19.505 _cell_angle_alpha 83.527 _cell_angle_beta 77.882 _cell_angle_gamma 89.215 _cell_volume 2727.275 _exptl_crystal_density_diffrn 5.896 _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 0.01133 0.76979 0.00506 1.00000 0.02360 Pb2 0.09059 0.84888 0.77863 1.00000 0.02510 Pb3 0.10223 0.32396 0.78080 1.00000 0.02110 Pb4 0.10250 0.46330 0.29310 0.64800 0.01620 Sb14 0.12900 0.46260 0.29500 0.35200 0.01620 Pb5 0.18480 0.73765 0.60477 1.00000 0.02210 Pb6 0.21059 0.39080 0.57004 1.00000 0.02680 Pb7 0.27458 0.61319 0.42895 1.00000 0.02640 Pb8 0.32374 0.26441 0.39448 1.00000 0.02200 Pb9 0.39622 0.67579 0.21894 1.00000 0.02090 Pb10 0.41029 0.15288 0.22049 1.00000 0.02340 Pb11 0.48670 0.23079 0.99463 1.00000 0.02350 Sb1A 0.02900 0.17010 0.57360 0.69000 0.01580 Sb1B -0.00400 0.17430 0.57690 0.31000 0.01580 Sb2 0.05030 0.97940 0.08083 1.00000 0.02120 Sb3 0.10670 0.04730 0.40450 0.74100 0.02210 Pb12 0.09270 0.03790 0.40950 0.25900 0.02210 Sb4A 0.16100 0.35470 0.13240 0.63000 0.01730 Sb4B 0.20700 0.35500 0.13120 0.37000 0.01730 Sb5 0.20810 0.90797 0.25218 1.00000 0.02010 Sb6 0.21120 0.56013 0.09091 1.00000 0.02030 Sb7 0.27745 0.43403 0.93941 1.00000 0.02090 Sb8 0.29940 0.09129 0.75116 1.00000 0.02330 Sb9 0.32590 0.64833 0.84667 1.00000 0.02000 Sb10 0.38890 0.95737 0.59170 0.91000 0.02150 Pb13 0.38890 0.95737 0.59170 0.09000 0.02150 Sb11 0.39860 0.53266 0.69370 1.00000 0.02010 Sb12 0.44660 0.01837 0.92107 1.00000 0.02340 Sb13A 0.50800 0.82490 0.42060 0.56000 0.01730 Sb13B 0.47500 0.83160 0.42490 0.44000 0.01730 Cl 0.00000 0.50000 0.50000 1.00000 0.02000 S2 0.01350 0.39010 0.03060 1.00000 0.01800 S3 0.01630 0.29290 0.49640 1.00000 0.01600 S4 0.05040 0.14070 0.82860 1.00000 0.02300 S5 0.05870 0.47160 0.82460 1.00000 0.02300 S6 0.08830 0.61070 0.32260 1.00000 0.01800 S7 0.10760 0.16940 0.32320 1.00000 0.01700 S8 0.12240 0.68360 0.77100 1.00000 0.01900 S9 0.14470 0.00810 0.67630 1.00000 0.02000 S10 0.19410 0.02730 0.16950 1.00000 0.01600 S11 0.19900 0.21940 0.11190 1.00000 0.01700 S12 0.19820 0.23000 0.64280 1.00000 0.02100 S13 0.20020 0.69900 0.10400 1.00000 0.01700 S14 0.21860 0.55890 0.61110 1.00000 0.02200 S15 0.22690 0.88840 0.51790 1.00000 0.02000 S16 0.24470 0.10050 0.98440 1.00000 0.02200 S17 0.25470 0.89760 0.01740 1.00000 0.02000 S18 0.26580 0.11430 0.48340 1.00000 0.02300 S19 0.30110 0.30770 0.89240 1.00000 0.01800 S20 0.30040 0.77310 0.89370 1.00000 0.01700 S21 0.30410 0.97030 0.83180 1.00000 0.01600 S22 0.31980 0.77070 0.35430 1.00000 0.02300 S23 0.34130 0.44210 0.39050 1.00000 0.02500 S24 0.35870 0.99120 0.32200 1.00000 0.02400 S25 0.39410 0.52820 0.17500 1.00000 0.02100 S26 0.39500 0.83510 0.67210 1.00000 0.01700 S27 0.40550 0.31580 0.23180 1.00000 0.02200 S28 0.40570 0.39200 0.68500 1.00000 0.01700 S29 0.45610 0.39020 0.02750 1.00000 0.01900 S30 0.45940 0.85980 0.17110 1.00000 0.02100 S31 0.48300 0.71120 0.50560 1.00000 0.01700 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 0.02510 0.02310 0.02160 0.00380 -0.00450 0.00130 Pb2 0.02350 0.03210 0.01960 -0.00260 -0.00220 -0.00760 Pb3 0.02290 0.02110 0.01890 0.00140 -0.00310 -0.00330 Pb5 0.02120 0.02690 0.01790 0.00010 -0.00280 -0.00410 Pb6 0.02400 0.03330 0.02370 -0.00050 -0.00660 -0.00320 Pb7 0.02380 0.03310 0.02310 0.00110 -0.00580 -0.00490 Pb8 0.02060 0.02770 0.01810 0.00140 -0.00400 -0.00410 Pb9 0.02320 0.02140 0.01850 0.00160 -0.00510 -0.00310 Pb10 0.02360 0.02760 0.01940 0.00110 -0.00310 -0.00720 Pb11 0.02340 0.02320 0.02190 0.00350 -0.00210 0.00020 Sb2 0.02280 0.02500 0.01870 0.00940 -0.00710 -0.00810 Sb5 0.02420 0.02000 0.01450 0.00360 -0.00040 -0.00290 Sb6 0.02660 0.01800 0.01800 0.00250 -0.00672 -0.00391 Sb7 0.02810 0.01700 0.01710 0.00040 -0.00310 -0.00170 Sb8 0.02510 0.02100 0.02020 0.00280 0.00190 0.00060 Sb9 0.02510 0.01530 0.01800 -0.00010 -0.00150 -0.00010 Sb10 0.02530 0.02330 0.01620 0.00540 -0.00220 -0.00800 Pb13 0.02530 0.02330 0.01620 0.00540 -0.00220 -0.00800 Sb11 0.02250 0.02000 0.01890 0.00210 -0.00360 -0.00620 Sb12 0.02560 0.02800 0.02010 0.01090 -0.00920 -0.01000 Cl 0.01800 0.01500 0.02700 0.00300 -0.00700 0.00600 S2 0.01900 0.01800 0.01500 0.00400 -0.00300 -0.00100 S3 0.02100 0.01200 0.01600 0.00100 -0.00100 -0.00600 S4 0.02700 0.01500 0.02200 0.00100 0.00200 0.00100 S5 0.02100 0.02100 0.02600 -0.00100 -0.00200 -0.00400 S6 0.02400 0.02200 0.00900 0.00100 -0.00200 -0.00300 S7 0.01700 0.02300 0.01400 -0.00400 -0.00600 -0.00500 S8 0.02600 0.00900 0.02100 0.00100 -0.00100 -0.00200 S9 0.02400 0.02000 0.01500 0.00200 -0.00400 -0.00300 S10 0.02000 0.01700 0.01200 0.00100 -0.00500 -0.00400 S11 0.02100 0.01600 0.01400 0.00200 -0.00300 -0.00400 S12 0.03700 0.01300 0.01700 0.00300 -0.01100 0.00100 S13 0.02200 0.01400 0.01600 0.00100 -0.00600 0.00500 S14 0.02900 0.01700 0.02000 0.00100 -0.01000 0.00200 S15 0.02000 0.02200 0.01900 0.00200 -0.00500 -0.00100 S16 0.02700 0.01700 0.02100 0.00600 0.00300 -0.01000 S17 0.02300 0.01600 0.02000 0.00300 0.00200 -0.00300 S18 0.02800 0.02000 0.02000 0.00200 -0.00400 -0.00300 S19 0.01600 0.02400 0.01400 0.00200 -0.00400 -0.00300 S20 0.01800 0.01600 0.01700 0.00100 -0.00300 -0.00600 S21 0.02000 0.01600 0.01300 -0.00200 -0.00600 -0.00400 S22 0.03600 0.01900 0.01700 0.00200 -0.01400 -0.00300 S23 0.02700 0.01400 0.03000 -0.00100 0.00400 0.00300 S24 0.02500 0.02400 0.02300 0.00100 -0.00700 0.00100 S25 0.02300 0.01400 0.02600 0.00500 -0.00500 -0.00600 S26 0.02100 0.01700 0.01500 0.00400 -0.00600 -0.00200 S27 0.02400 0.01500 0.02300 0.00300 0.00300 -0.00400 S28 0.02000 0.01900 0.01500 -0.00100 -0.00400 -0.00700 S29 0.02300 0.01340 0.01800 0.00200 -0.00300 -0.00100 S30 0.02700 0.02000 0.01500 0.00100 -0.00200 -0.00300 S31 0.02000 0.02200 0.01000 0.00400 -0.00400 -0.00200