data_global _chemical_name_mineral 'Dufrenoysite' loop_ _publ_author_name 'Ribar B' 'Nicca C' 'Nowacki W' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 130 _journal_year 1969 _journal_page_first 15 _journal_page_last 40 _publ_section_title ; Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20 ; _database_code_amcsd 0010695 _chemical_compound_source 'Lengenbach, Binnatal, Switzerland' _chemical_formula_sum 'Pb2 As2 S5' _cell_length_a 7.90 _cell_length_b 25.740 _cell_length_c 8.37 _cell_angle_alpha 90 _cell_angle_beta 90.35 _cell_angle_gamma 90 _cell_volume 1701.974 _exptl_crystal_density_diffrn 5.655 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb1 0.01420 0.00040 0.87580 Pb2 0.97510 0.49750 0.63220 Pb3 0.52530 0.09440 0.87590 Pb4 0.51530 0.09510 0.38190 Pb5 0.18970 0.22500 0.87990 Pb6 0.31930 0.37230 0.13840 Pb7 0.66670 0.25500 0.64480 Pb8 0.21410 0.22810 0.39940 As1 0.95670 0.14260 0.16870 As2 0.94480 0.13450 0.63330 As3 0.55900 0.46070 0.88870 As4 0.54220 0.45140 0.44140 As5 0.88370 0.36260 0.37480 As6 0.88370 0.35180 0.95010 As7 0.29870 0.35300 0.63910 As8 0.63560 0.23430 0.11990 S1 0.27140 0.03100 0.11930 S2 0.79500 0.07200 0.13100 S3 0.11920 0.11000 0.82200 S4 0.40530 0.18170 0.12500 S5 0.77410 0.19580 0.91500 S6 0.44000 0.30810 0.40910 S7 0.44880 0.30660 0.85350 S8 0.06160 0.29760 0.63260 S9 0.04300 0.29980 0.11500 S10 0.07520 0.41360 0.89670 S11 0.39260 0.48500 0.08750 S12 0.73850 0.39770 0.15330 S13 0.73060 0.40270 0.58850 S14 0.30120 0.02170 0.60380 S15 0.76980 0.06600 0.63160 S16 0.10610 0.11340 0.39630 S17 0.42480 0.18220 0.61670 S18 0.77820 0.19260 0.31870 S19 0.10490 0.41870 0.37550 S20 0.39200 0.48190 0.66630 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 0.03889 0.03357 0.02839 0.00670 0.01373 0.00546 Pb2 0.02498 0.03357 0.03123 0.00052 0.00134 0.00600 Pb3 0.04489 0.03692 0.04401 0.00773 0.01742 0.00327 Pb4 0.03193 0.03021 0.02804 0.00021 0.00586 0.00327 Pb5 0.02751 0.02014 0.02413 0.00000 0.00134 0.00164 Pb6 0.02213 0.02350 0.02520 0.00052 0.00050 0.00055 Pb7 0.00790 0.02685 0.01455 0.00000 0.00167 0.00600 Pb8 0.02182 0.01678 0.01810 0.00103 0.00234 0.00273 As1 0.01897 0.02350 0.02413 0.00155 0.00033 0.00218 As2 0.02087 0.01343 0.02875 0.00103 0.00234 0.00382 As3 0.01960 0.01678 0.03797 0.00155 0.00285 0.00546 As4 0.01739 0.02014 0.01633 0.00103 0.00821 0.00764 As5 0.01454 0.02014 0.02910 0.00309 0.00067 0.00437 As6 0.02182 0.02014 0.02342 0.00206 0.00335 0.00491 As7 0.01012 0.05706 0.00923 0.00618 0.00586 0.01310 As8 0.01960 0.02350 0.02697 0.00721 0.00151 0.00655 S1 0.02055 0.02350 0.04259 0.00361 0.00352 0.01473 S2 0.02877 0.02350 0.01136 0.00567 0.01558 0.00273 S3 0.01233 0.02685 0.01455 0.00258 0.00569 0.00218 S4 0.02276 0.02350 0.02520 0.00206 0.00586 0.00109 S5 0.02782 0.03021 0.01810 0.00979 0.00754 0.00655 S6 0.02087 0.03021 0.02946 0.00258 0.01223 0.00928 S7 0.02719 0.01678 0.04543 0.00824 0.00720 0.00546 S8 0.02276 0.04363 0.01562 0.00464 0.00134 0.00982 S9 0.02656 0.01007 0.03939 0.00155 0.01440 0.00382 S10 0.01771 0.02685 0.01278 0.00155 0.00167 0.00109 S11 0.01739 0.01007 0.01633 0.00206 0.00184 0.00000 S12 0.01676 0.03021 0.01987 0.00052 0.01273 0.00000 S13 0.02308 0.01343 0.02733 0.00309 0.00586 0.01037 S14 0.02118 0.02350 0.01420 0.00464 0.01089 0.01037 S15 0.02213 0.02014 0.04223 0.00309 0.00435 0.00109 S16 0.02023 0.02350 0.03372 0.00258 0.01507 0.00164 S17 0.02023 0.02685 0.01242 0.00361 0.00084 0.00764 S18 0.02150 0.03357 0.04365 0.00206 0.00100 0.00600 S19 0.02371 0.02014 0.03478 0.00155 0.02144 0.00600 S20 0.02182 0.02014 0.02271 0.00103 0.00167 0.00873