data_global _chemical_name_mineral 'Ludlockite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 79 _journal_page_last 89 _publ_section_title ; The crystal structure of ludlockite, PbFe4As10O22, the mineral with pentameric arsenite groups and orange hair ; _database_code_amcsd 0005479 _chemical_formula_sum 'Pb Fe4 As10 O22' _cell_length_a 10.426 _cell_length_b 12.074 _cell_length_c 18.349 _cell_angle_alpha 101.84 _cell_angle_beta 100.21 _cell_angle_gamma 90.60 _cell_volume 2222.263 _exptl_crystal_density_diffrn 4.578 _symmetry_space_group_name_H-M 'A -1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '-x,-y,-z' '-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb 0.24520 0.25922 0.74729 Fe1 0.48400 0.52300 0.26270 Fe2 0.25030 0.58270 0.74750 Fe3 0.01940 0.51440 0.24130 Fe4 0.25210 0.34600 0.25320 As1 0.17160 0.61920 0.92339 As2 0.23720 0.49780 0.12130 As3 0.43700 0.50370 0.90356 As4 0.49030 0.26000 0.13975 As5 0.03270 0.38080 0.90857 As6 0.45860 0.77180 0.09138 As7 0.05510 0.41560 0.59003 As8 0.33260 0.50320 0.57116 As9 0.00320 0.82150 0.85918 As10 0.26860 0.58700 0.38155 O1 0.13100 0.59010 0.82150 O2 0.34930 0.48620 0.32120 O3 0.15620 0.19940 0.19760 O4 0.36760 0.54150 0.67200 O5 0.11620 0.45540 0.69110 O6 0.09050 0.38850 0.30380 O7 0.41100 0.35970 0.20020 O8 0.34700 0.72970 0.80590 O9 0.37900 0.48920 0.80510 O10 0.20670 0.89450 0.06020 O11 0.14680 0.62360 0.31220 O12 0.44080 0.32790 0.68510 O13 0.28670 0.51130 0.93510 O14 0.36310 0.21710 0.88600 O15 0.04390 0.36680 0.81230 O16 0.04190 0.53460 0.93900 O17 0.45110 0.90140 0.05380 O18 0.47830 0.65210 0.92420 O19 0.15460 0.43980 0.18540 O20 0.14400 0.62480 0.11080 O21 0.35770 0.58580 0.19110 O22 0.03260 0.55540 0.57520 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 Pb 0.03570 0.01710 0.02190 -0.00090 -0.00160 0.00510 Fe1 0.00440 0.01170 0.01380 0.00210 0.00020 0.00250 Fe2 0.00550 0.01110 0.01180 0.00110 -0.00070 0.00380 Fe3 0.00590 0.01030 0.01410 0.00040 -0.00090 0.00270 Fe4 0.00600 0.01040 0.01540 0.00040 -0.00180 0.00330 As1 0.00840 0.01320 0.01170 -0.00020 -0.00070 0.00150 As2 0.00990 0.01440 0.01270 -0.00020 0.00150 0.00430 As3 0.00770 0.01550 0.01430 0.00310 -0.00100 0.00550 As4 0.00700 0.01060 0.01350 -0.00100 -0.00090 0.00060 As5 0.01070 0.01750 0.01740 0.00060 -0.00210 0.00810 As6 0.01040 0.01560 0.01650 0.00090 -0.00340 -0.00100 As7 0.00710 0.01480 0.01310 -0.00020 -0.00060 -0.00050 As8 0.01180 0.01510 0.01140 0.00170 -0.00070 0.00350 As9 0.00680 0.01240 0.01130 0.00210 -0.00150 0.00310 As10 0.01020 0.01650 0.01100 0.00320 0.00070 0.00100 O1 0.01810 0.01360 0.00710 -0.00400 -0.00240 -0.00130 O2 0.00240 0.01140 0.01170 -0.00170 -0.00140 -0.00310 O3 0.00960 0.00890 0.01280 0.00260 -0.00020 0.00190 O4 0.00710 0.01510 0.01540 0.00020 -0.00040 -0.00170 O5 0.01010 0.01740 0.01110 -0.00380 -0.00160 0.00350 O6 0.00890 0.01670 0.01330 0.00390 -0.00200 0.00970 O7 0.00710 0.00820 0.01780 0.00460 0.00160 -0.00030 O8 0.01210 0.00760 0.01430 0.00300 -0.00680 0.00170 O9 0.01040 0.01800 0.01100 0.00050 -0.00670 0.00570 O10 0.00570 0.01820 0.01780 0.00060 -0.00150 -0.00510 O11 0.00320 0.01330 0.02560 -0.00110 -0.00510 0.00520 O12 0.02490 0.01930 0.00840 -0.00330 0.00020 -0.00140 O13 0.00890 0.02490 0.02170 0.00950 0.00870 0.00780 O14 0.00470 0.01950 0.03180 -0.00240 -0.00800 -0.00420 O15 0.02750 0.02120 0.02370 0.00830 0.00290 0.01310 O16 0.01500 0.02180 0.01270 -0.00220 -0.00020 0.00650 O17 0.01230 0.01840 0.02090 0.00740 0.00990 0.00130 O18 0.01770 0.01680 0.02110 -0.00440 0.00370 0.01140 O19 0.00770 0.01830 0.01010 0.00180 -0.00150 0.00260 O20 0.00870 0.02590 0.03090 0.00090 -0.00070 0.01970 O21 0.00670 0.01630 0.01810 -0.00360 -0.00080 0.00700 O22 0.02540 0.01910 0.01290 0.00190 0.00460 0.00540