data_global _chemical_name_mineral 'Chabourneite' loop_ _publ_author_name 'Nagl A' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 150 _journal_year 1979 _journal_page_first 85 _journal_page_last 106 _publ_section_title ; The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68 ; _database_code_amcsd 0010812 _chemical_compound_source 'Jas Roux, France' _chemical_formula_sum 'Tl8 Pb4 Sb21 As19 S68' _cell_length_a 16.320 _cell_length_b 21.3180 _cell_length_c 8.543 _cell_angle_alpha 83.98 _cell_angle_beta 89.06 _cell_angle_gamma 83.20 _cell_volume 2934.986 _exptl_crystal_density_diffrn 4.880 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Tl1 0.24480 0.31520 0.42300 ? Tl2 0.23880 0.31470 0.90600 ? Tl3 0.73410 0.32190 0.41060 ? Tl4 0.73510 0.31830 0.92640 ? Tl5 0.27730 0.68920 0.06850 ? Tl6 0.27430 0.68490 0.55270 ? Tl7 0.76920 0.68560 0.05890 ? Tl8 0.77530 0.68530 0.58170 ? Pb1 0.00230 0.22240 0.43990 ? Pb2 0.50450 0.22460 0.92470 ? Pb3 0.01030 0.78100 0.06130 ? Pb4 0.50740 0.77980 0.52870 ? Sb1 0.15940 0.05970 0.94260 ? Sb2 0.33050 0.12960 0.21560 ? Sb3 0.65980 0.06530 0.93650 ? Sb4 0.83490 0.11840 0.21960 ? Sb5 0.49680 0.23580 0.41730 ? Sb6 0.99180 0.22980 0.96390 ? Sb7 0.01120 0.39180 0.65210 ? Sb8 0.50780 0.39420 0.15750 ? Sb9 0.16640 0.52340 0.11420 ? Sb10 0.34450 0.48600 0.86900 ? Sb11 0.66810 0.52210 0.61550 ? Sb12 0.84780 0.48570 0.37030 ? Sb13 0.00780 0.60950 0.82760 ? Sb14 0.50360 0.61510 0.32910 ? Sb15 0.01800 0.76550 0.57510 ? Sb16 0.51970 0.76860 0.06330 ? Sb17 0.18010 0.87790 0.76360 ? Sb18 0.67490 0.87350 0.25190 ? Sb19 0.68550 0.88210 0.77200 ? Sb20 0.83460 0.93210 0.47600 ? Sb21 0.48730 0.98050 0.73500 ? As1 0.02240 0.03480 0.25830 ? As2 0.17080 0.06980 0.51460 ? As3 0.32930 0.13400 0.72540 ? As4 0.52810 0.04110 0.24500 ? As5 0.67760 0.07720 0.50770 ? As6 0.83420 0.14070 0.73910 ? As7 0.01560 0.37280 0.16320 ? As8 0.51540 0.37460 0.65230 ? As9 0.15470 0.49730 0.63130 ? As10 0.36120 0.50920 0.34950 ? As11 0.65430 0.49940 0.12840 ? As12 0.86310 0.50730 0.85110 ? As13 0.00110 0.62990 0.32730 ? As14 0.49310 0.63390 0.82530 ? As15 0.18850 0.87180 0.26490 ? As16 0.35740 0.94310 0.05380 ? As17 0.34360 0.93570 0.47590 ? As18 0.85350 0.93710 0.06670 ? As19 0.98650 0.96860 0.73920 ? S1 0.10210 0.11800 0.27160 0.01520 S2 0.06850 0.10230 0.68500 0.01140 S3 0.24070 0.16350 0.50490 0.01140 S4 0.22710 0.16020 0.92190 0.01267 S5 0.44640 0.08340 0.02770 0.01393 S6 0.41990 0.07230 0.43230 0.01393 S7 0.60140 0.12910 0.27590 0.01646 S8 0.57870 0.10650 0.69190 0.01013 S9 0.74800 0.17040 0.50450 0.01646 S10 0.73520 0.15960 0.92340 0.01267 S11 0.94620 0.07780 0.02870 0.01267 S12 0.92030 0.05920 0.43970 0.01646 S13 0.10120 0.27460 0.18850 0.01520 S14 0.09310 0.28640 0.68190 0.01267 S15 0.28140 0.43050 0.10190 0.01520 S16 0.28020 0.43870 0.65850 0.01140 S17 0.38480 0.24460 0.19550 0.01520 S18 0.38080 0.22710 0.69040 0.01267 S19 0.43360 0.35010 0.45710 0.01267 S20 0.43840 0.35350 0.86660 0.01140 S21 0.58880 0.28860 0.18830 0.01140 S22 0.60050 0.28170 0.67290 0.01646 S23 0.78150 0.43760 0.15110 0.01140 S24 0.78110 0.43100 0.60400 0.01267 S25 0.87230 0.23000 0.18770 0.01267 S26 0.87790 0.23980 0.71680 0.01393 S27 0.93500 0.34980 0.36900 0.01267 S28 0.94060 0.34620 0.95750 0.01267 S29 0.10110 0.44380 0.44880 0.01267 S30 0.09500 0.44180 0.84110 0.01140 S31 0.42760 0.55790 0.14290 0.01267 S32 0.40840 0.56560 0.53930 0.01393 S33 0.59480 0.44570 0.34030 0.00887 S34 0.59660 0.44500 0.95040 0.01013 S35 0.90430 0.56620 0.03840 0.00887 S36 0.92700 0.55860 0.63840 0.01013 S37 0.07940 0.65590 0.10680 0.01140 S38 0.08250 0.65520 0.53290 0.01140 S39 0.14520 0.77280 0.27720 0.01267 S40 0.12770 0.76920 0.77360 0.01393 S41 0.23350 0.57080 0.32820 0.01140 S42 0.23450 0.57390 0.87500 0.01520 S43 0.42300 0.71680 0.29330 0.01393 S44 0.41210 0.72220 0.80340 0.01646 S45 0.57870 0.66010 0.02060 0.01140 S46 0.57780 0.64950 0.61590 0.01140 S47 0.63380 0.76100 0.25820 0.01140 S48 0.63050 0.78540 0.79650 0.00887 S49 0.73100 0.57610 0.38130 0.01267 S50 0.73560 0.56610 0.82270 0.01140 S51 0.90850 0.71390 0.30690 0.01267 S52 0.92960 0.71740 0.78430 0.01267 S53 0.08330 0.93200 0.55890 0.01267 S54 0.07550 0.92090 0.94570 0.01393 S55 0.28350 0.85140 0.07520 0.01140 S56 0.27360 0.84670 0.47650 0.01393 S57 0.26330 0.00510 0.19510 0.01140 S58 0.25860 0.00210 0.78560 0.01267 S59 0.44090 0.91000 0.28460 0.01267 S60 0.41790 0.88140 0.70720 0.01646 S61 0.58780 0.93730 0.55200 0.01393 S62 0.57720 0.93340 0.94200 0.00760 S63 0.78730 0.84270 0.05760 0.01393 S64 0.76440 0.83890 0.47140 0.01393 S65 0.75660 0.98870 0.20450 0.01646 S66 0.76570 0.01150 0.78420 0.01393 S67 0.94190 0.90180 0.28360 0.01013 S68 0.91280 0.87480 0.72370 0.01520 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 Tl1 0.05055 0.03368 0.04388 -0.01556 -0.02860 -0.01722 Tl2 0.03060 0.01797 0.02048 -0.01210 -0.01325 -0.00453 Tl3 0.04257 0.02695 0.03181 -0.03111 -0.03139 0.00000 Tl4 0.02395 0.02919 0.03583 -0.01901 -0.00070 -0.01631 Tl5 0.04124 0.02919 0.02962 -0.02766 -0.01604 -0.01087 Tl6 0.02129 0.02021 0.02742 -0.00519 -0.00209 -0.01722 Tl7 0.03193 0.03593 0.04461 -0.01037 -0.01255 -0.02447 Tl8 0.02395 0.01572 0.02560 -0.01556 -0.01046 -0.00181 Pb1 0.03193 0.02021 0.06070 -0.00691 -0.00697 0.01722 Pb2 0.02794 0.02021 0.03181 -0.00864 -0.02302 0.00272 Pb3 0.03991 0.02246 0.03766 -0.02074 -0.03557 0.00453 Pb4 0.03459 0.02919 0.05887 -0.01383 -0.01325 0.01087 Sb1 0.01996 0.01347 0.02487 -0.01210 -0.02720 -0.00544 Sb2 0.01197 0.02021 0.01316 -0.01383 -0.00907 0.00181 Sb3 0.03326 0.02695 0.04498 -0.01901 -0.03627 -0.02900 Sb4 0.04656 0.02246 0.02011 -0.01901 -0.03766 0.00634 Sb5 0.03592 0.02470 0.03108 -0.02074 -0.03069 -0.00544 Sb6 0.04789 0.01347 0.02816 -0.02420 -0.03836 0.00453 Sb7 0.01729 0.01797 0.01975 -0.01037 -0.00976 -0.00725 Sb8 0.01729 0.01572 0.02011 -0.01728 -0.01604 -0.00453 Sb9 0.02395 0.01797 0.02523 -0.01901 -0.02511 -0.00272 Sb10 0.01197 0.01123 0.01536 -0.00864 -0.01604 -0.00362 Sb11 0.02794 0.01347 0.02267 -0.02074 -0.02790 -0.00634 Sb12 0.01330 0.02021 0.01207 -0.01383 -0.00767 -0.00906 Sb13 0.01596 0.01347 0.01426 -0.01728 -0.01255 -0.00362 Sb14 0.01729 0.01572 0.01828 -0.01728 -0.01534 0.00272 Sb15 0.00798 0.01123 0.01426 0.00173 -0.00209 -0.00544 Sb16 0.02927 0.01347 0.04095 -0.01383 -0.03976 0.00000 Sb17 0.02262 0.03368 0.01463 -0.01901 -0.00907 -0.00453 Sb18 0.01596 0.01797 0.01316 -0.00864 -0.01534 -0.01087 Sb19 0.02395 0.02470 0.02487 -0.00864 -0.00418 -0.00544 Sb20 0.04124 0.02919 0.02121 -0.04494 -0.03348 -0.00725 Sb21 0.02528 0.05614 0.01536 -0.00864 -0.03557 -0.01994 As1 0.01729 0.04042 0.02011 -0.01037 -0.01046 -0.02990 As2 0.00798 0.02021 0.01024 -0.02766 -0.00837 -0.00997 As3 0.01064 0.00674 0.01353 -0.01728 -0.01116 0.00362 As4 0.00931 0.01572 0.00987 -0.00691 -0.01116 -0.00816 As5 0.00798 0.01797 0.00731 -0.01901 0.00907 -0.00634 As6 0.00665 0.02021 0.01280 -0.02247 -0.00209 -0.01812 As7 0.01463 0.00898 0.00878 -0.01383 -0.00558 -0.00544 As8 0.01330 0.01123 0.00731 -0.00864 -0.00767 -0.00362 As9 0.01064 0.00449 0.00878 -0.00691 -0.01116 -0.00272 As10 0.01064 0.00449 0.00841 -0.01210 -0.01116 0.00453 As11 0.00665 0.00449 0.00841 -0.00346 -0.00907 -0.00362 As12 0.00931 0.00449 0.00731 -0.00691 -0.01116 -0.00272 As13 0.01463 0.00674 0.00293 -0.01901 -0.00418 -0.00181 As14 0.01596 0.01123 0.00366 -0.02074 -0.01465 -0.00362 As15 0.01197 0.01797 0.01426 -0.02593 -0.01883 0.00725 As16 0.00798 0.00898 0.01755 -0.00691 0.00767 -0.01178 As17 0.00665 0.02470 0.01097 -0.02247 -0.01953 -0.01903 As18 0.00665 0.00898 0.01572 0.00173 0.00279 -0.01087 As19 0.00665 0.03818 0.00037 -0.02766 -0.02232 -0.00362