data_global _chemical_name_mineral 'Boulangerite' loop_ _publ_author_name 'Ventruti G' 'Stasi F' 'Pinto D' 'Vurro F' 'Renna M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 181 _journal_page_last 199 _publ_section_title ; The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype ; _database_code_amcsd 0019191 _chemical_compound_source 'Bottino mine, Apuan Alps, Italy' _chemical_formula_sum 'Pb10.15 Sb7.85 S22' _cell_length_a 21.554 _cell_length_b 23.454 _cell_length_c 8.079 _cell_angle_alpha 90 _cell_angle_beta 100.76 _cell_angle_gamma 90 _cell_volume 4012.349 _exptl_crystal_density_diffrn 6.231 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 PbA1 0.12228 0.49872 0.94540 1.00000 0.02280 PbA2 0.30804 0.15950 0.02589 1.00000 0.01893 PbA3 0.20558 0.32436 0.97843 1.00000 0.02050 SbA4 0.46610 0.43755 0.33380 1.00000 0.02150 PbA5a 0.13286 0.09657 0.20350 0.69000 0.02250 SbA5b 0.12850 0.10300 0.20000 0.31000 0.02250 SbA6 0.37145 0.30864 0.30900 1.00000 0.01640 SbA7 0.05948 0.23021 0.89960 1.00000 0.02630 SbA8 0.48592 0.12122 0.36150 1.00000 0.01480 SbA9 0.29219 0.45695 0.27890 1.00000 0.02200 PbA1 0.11178 0.49911 0.42704 1.00000 0.02450 PbA2 0.30543 0.15990 0.52952 1.00000 0.01987 PbA3 0.20703 0.32108 0.47820 1.00000 0.02390 PbA4 0.45191 0.42983 0.84862 1.00000 0.02480 PbA5a 0.13455 0.09449 0.69190 0.46000 0.02390 SbA5b 0.12620 0.10490 0.67790 0.54000 0.02390 SbA6 0.38703 0.28390 0.81810 1.00000 0.01580 PbA7 0.03872 0.23296 0.39780 1.00000 0.02680 PbA8 0.48697 0.13465 0.86647 1.00000 0.01921 SbA9 0.28390 0.46674 0.76920 1.00000 0.01740 S1 0.06560 0.01420 0.89860 1.00000 0.01890 S2 0.18660 0.41650 0.21980 1.00000 0.01590 S3 0.24810 0.02870 0.01430 1.00000 0.01930 S4 0.09680 0.29400 0.15480 1.00000 0.02410 S5 0.15690 0.17290 0.95120 1.00000 0.02530 S6 0.33380 0.37470 0.06490 1.00000 0.01950 S7 0.41800 0.22180 0.06900 1.00000 0.01550 S8 0.01490 0.44500 0.15330 1.00000 0.01920 S9 0.37440 0.09230 0.30990 1.00000 0.01530 S1 0.27660 0.24940 0.26660 1.00000 0.01440 S1 0.01880 0.13480 0.14110 1.00000 0.01660 S1 0.07120 0.01820 0.41720 1.00000 0.01630 S2 0.18660 0.41200 0.71640 1.00000 0.01660 S3 0.24480 0.02850 0.47930 1.00000 0.01840 S4 0.09510 0.29380 0.69600 1.00000 0.02150 S5 0.15490 0.17590 0.45480 1.00000 0.02350 S6 0.32870 0.37400 0.51590 1.00000 0.01530 S7 0.41980 0.21920 0.60470 1.00000 0.01720 S8 0.01250 0.43850 0.60960 1.00000 0.01460 S9 0.36760 0.08470 0.81220 1.00000 0.01610 S10 0.27690 0.25100 0.76140 1.00000 0.01550 S11 0.01720 0.13890 0.63060 1.00000 0.01970 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 PbA1 0.03020 0.01600 0.02330 -0.00290 0.00810 -0.00300 PbA2 0.01920 0.01810 0.02020 -0.00130 0.00570 0.00110 PbA3 0.02060 0.01850 0.02310 0.00180 0.00620 0.00060 SbA4 0.02000 0.01530 0.02910 -0.00240 0.00420 -0.00180 SbA6 0.01720 0.01240 0.01950 0.00010 0.00320 0.00160 SbA7 0.01870 0.01880 0.04350 0.00250 0.01100 0.01350 SbA8 0.02000 0.00840 0.01730 -0.00100 0.00710 -0.00090 SbA9 0.01550 0.01810 0.03200 0.00010 0.00330 -0.00060 PbA1 0.03720 0.01510 0.02280 -0.00200 0.00920 0.00000 PbA2 0.02180 0.01760 0.02110 -0.00150 0.00620 -0.00010 PbA3 0.02120 0.02600 0.02560 0.00180 0.00770 0.00010 PbA4 0.02670 0.01830 0.02950 0.00180 0.00530 0.00200 SbA6 0.01940 0.01020 0.01840 -0.00260 0.00490 0.00040 PbA7 0.02760 0.01590 0.03590 -0.00230 0.00320 -0.00110 PbA8 0.02310 0.01220 0.02310 0.00070 0.00610 -0.00040 SbA9 0.01550 0.01710 0.02060 0.00120 0.00610 -0.00020 S1 0.01400 0.02000 0.02400 0.00070 0.00500 0.00100 S2 0.01500 0.01300 0.02000 -0.00220 0.00500 -0.00200 S3 0.02200 0.01300 0.02500 -0.00100 0.00800 0.00500 S4 0.01700 0.02400 0.03300 -0.00900 0.00700 -0.00300 S5 0.02200 0.01000 0.04500 0.00340 0.01000 -0.00100 S6 0.02200 0.01500 0.02200 0.00000 0.00600 0.00500 S7 0.01800 0.01300 0.01600 -0.00280 0.00400 0.00300 S8 0.01800 0.01300 0.02900 -0.00440 0.01000 -0.00100 S9 0.01200 0.01800 0.01500 0.00250 0.00200 0.00000 S1 0.01900 0.01100 0.01600 -0.00120 0.00900 -0.00200 S1 0.02100 0.01070 0.02100 0.00360 0.01100 0.00300 S1 0.01700 0.01600 0.01600 0.00420 0.00300 0.00500 S2 0.02000 0.01500 0.01700 0.00020 0.00700 0.00100 S3 0.01600 0.01800 0.02100 0.00000 0.00300 -0.00400 S4 0.02600 0.01500 0.02400 -0.00900 0.00600 0.00600 S5 0.01200 0.01900 0.04100 0.00460 0.00900 -0.00800 S6 0.02000 0.01300 0.01500 0.00090 0.00800 -0.00300 S7 0.01700 0.02000 0.01700 -0.00100 0.00700 -0.00200 S8 0.01900 0.01500 0.01100 -0.00180 0.00400 0.00000 S9 0.02000 0.00900 0.02000 0.00450 0.00800 0.00100 S10 0.02000 0.01400 0.01500 0.00170 0.00800 0.00100 S11 0.01800 0.01800 0.02500 0.00400 0.00800 0.00400