data_global _chemical_name_mineral 'Mammothite' loop_ _publ_author_name 'Grice J D' 'Cooper M A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 52 _journal_year 2014 _journal_page_first 687 _journal_page_last 697 _publ_section_title ; Mammothite: a Pb-Sb-Cu-Al oxy-hydroxide-sulfate - hydrogen atom determination lowers space group symmetry ; _database_code_amcsd 0021234 _chemical_compound_source 'Rowley mine, Arizona, USA' _chemical_formula_sum 'Pb6 Cu4 (Al.74 Cr.26) Sb S2 Cl4 O18 Os8 H16' _cell_length_a 18.959 _cell_length_b 7.3398 _cell_length_c 11.363 _cell_angle_alpha 90 _cell_angle_beta 112.428 _cell_angle_gamma 90 _cell_volume 1461.617 _exptl_crystal_density_diffrn 8.371 _symmetry_space_group_name_H-M 'C 1 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,y,-z' '1/2-x,1/2+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 0.21039 -0.00017 0.17920 1.00000 0.01552 Pb21 0.42314 0.25876 0.20361 1.00000 0.01675 Pb22 -0.42306 -0.25884 -0.20331 1.00000 0.01764 Cu1 0.24986 0.25010 0.50020 1.00000 0.01523 Cu2 0.10434 0.00010 0.36849 1.00000 0.01309 Al 0.00000 -0.00050 0.50000 0.74000 0.01020 Cr 0.00000 -0.00050 0.50000 0.26000 0.01020 Sb 0.00000 0.00000 0.00000 1.00000 0.01058 S 0.24971 -0.00030 -0.09612 1.00000 0.01170 Cl1 0.36676 0.00010 0.39660 1.00000 0.03030 Cl2 0.44955 0.00040 -0.19868 1.00000 0.02070 O 0.00284 0.00140 -0.17080 1.00000 0.01200 O-h13 0.23729 0.00110 -0.44120 1.00000 0.01940 O-h2 0.08877 0.00120 -0.34600 1.00000 0.01400 O-h31 0.08250 0.18370 0.04410 1.00000 0.01780 O-h32 -0.08390 -0.18340 -0.04230 1.00000 0.01260 O-h41 0.04080 0.17520 0.41670 1.00000 0.01530 O-h42 -0.03880 -0.17220 -0.41530 1.00000 0.01300 O-h51 0.17048 0.18380 0.34010 1.00000 0.01260 O-h52 -0.17080 -0.18240 -0.34030 1.00000 0.01500 Os1 0.17665 0.00090 -0.07160 1.00000 0.02060 Os2 0.31345 0.00150 0.02680 1.00000 0.02460 Os31 0.24670 0.16320 -0.17320 1.00000 0.02890 Os32 -0.24950 -0.15980 0.17080 1.00000 0.03400 H1 0.23700 -0.05600 -0.36400 1.00000 0.06000 H2 0.13430 0.05600 -0.34800 1.00000 0.09000 H31 0.07200 0.30200 0.07100 1.00000 0.03200 H32 -0.06800 -0.25900 -0.09700 1.00000 0.03200 H41 0.05910 0.26400 0.48400 1.00000 0.04200 H42 -0.07300 -0.26200 -0.46900 1.00000 0.04200 H51 0.13260 0.27900 0.30200 1.00000 0.03300 H52 -0.16300 -0.29600 -0.29400 1.00000 0.03300 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 0.01421 0.01813 0.01466 0.00010 0.00601 0.00020 Pb21 0.01857 0.01230 0.01957 -0.00248 0.00751 -0.00001 Pb22 0.01872 0.01216 0.02217 -0.00199 0.00795 -0.00004 Cu1 0.01490 0.01510 0.01439 -0.00479 0.00417 -0.00306 Cu2 0.01237 0.01290 0.01601 0.00080 0.00763 0.00140 Al 0.00940 0.01210 0.00880 0.00000 0.00320 0.00000 Cr 0.00940 0.01210 0.00880 0.00000 0.00320 0.00000 Sb 0.00907 0.01262 0.00989 0.00000 0.00346 0.00000 S 0.01060 0.01240 0.01180 0.00060 0.00410 0.00090 Cl1 0.03010 0.02740 0.02370 0.00040 -0.00060 -0.00030 Cl2 0.02340 0.01280 0.02640 -0.00080 0.00990 -0.00180 O 0.01260 0.01580 0.00780 0.00200 0.00400 0.00800 O-h13 0.02320 0.01540 0.01540 0.00500 0.00270 -0.00200 O-h2 0.00990 0.01780 0.01410 -0.00100 0.00460 0.00300 O-h31 0.00910 0.02400 0.02127 -0.00050 0.00710 -0.00320 O-h32 0.01800 0.00510 0.01810 -0.00720 0.01060 -0.00610 O-h41 0.01840 0.01660 0.01530 -0.00130 0.01150 -0.00090 O-h42 0.01270 0.00790 0.01590 -0.00180 0.00270 -0.00320 O-h51 0.01120 0.01170 0.01240 0.00060 0.00170 0.00210 O-h52 0.01660 0.01250 0.01460 -0.00250 0.00420 0.00000 Os1 0.01200 0.03490 0.01600 -0.00100 0.00670 -0.00700 Os2 0.01640 0.03090 0.02060 -0.00500 0.00050 -0.00200 Os31 0.03100 0.01800 0.03200 -0.00680 0.00610 0.00800 Os32 0.03700 0.03200 0.02400 -0.01200 0.00250 0.01560