data_global _chemical_name_mineral 'Hereroite' loop_ _publ_author_name 'Siidra O I' 'Krivovichev S V' 'Turner R W' 'Rumsey M S' 'Spratt J' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 248 _journal_page_last 255 _publ_section_title ; Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part I. Crystal structure of hereroite, [Pb32O20(O,[_])](AsO4)2[(Si,As,V,Mo)O4]2Cl10 ; _database_code_amcsd 0019741 _chemical_compound_source 'Kombat mine, Grootfontein, Namibia' _chemical_formula_sum 'Pb32 Si.96 As2.56 V.32 Mo.16 Cl9 O36.7' _cell_length_a 23.139 _cell_length_b 22.684 _cell_length_c 12.389 _cell_angle_alpha 90 _cell_angle_beta 102.090 _cell_angle_gamma 90 _cell_volume 6358.568 _exptl_crystal_density_diffrn 8.134 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 0.02370 0.33013 0.11179 1.00000 0.01240 Pb2 -0.13847 0.33113 -0.05572 1.00000 0.00938 Pb3 0.24274 0.16730 0.00179 1.00000 0.01195 Pb4 -0.03666 0.55670 0.37405 1.00000 0.01179 Pb5 -0.30232 0.33470 -0.22005 1.00000 0.01283 Pb6 0.08073 0.16427 -0.17277 1.00000 0.00920 Pb7 -0.19191 0.66864 -0.28106 1.00000 0.01232 Pb8 -0.07902 0.44391 0.15108 1.00000 0.01180 Pb9 -0.19752 0.44554 -0.26142 1.00000 0.01285 Pb10 -0.02290 0.04875 -0.11756 1.00000 0.01329 Pb11 0.03095 0.16428 0.11131 1.00000 0.01614 Pb12 -0.23979 0.55461 -0.48495 1.00000 0.01140 Pb13 -0.08201 0.67123 0.17201 1.00000 0.01177 Pb14 0.18340 0.05181 -0.23282 1.00000 0.01399 Pb15 0.13716 0.05425 0.03687 1.00000 0.01445 Pb16 0.14468 0.16517 -0.43715 1.00000 0.01309 SiT 0.09489 -0.06941 -0.15611 0.48000 0.01290 AsT 0.09489 -0.06941 -0.15611 0.28000 0.01290 VT 0.09489 -0.06941 -0.15611 0.16000 0.01290 MoT 0.09489 -0.06941 -0.15611 0.08000 0.01290 As1 -0.13500 0.56799 -0.05413 1.00000 0.01740 Cl1 -0.25000 0.25000 0.00000 1.00000 0.02070 Cl2 0.14010 0.23630 0.05530 1.00000 0.02040 Cl3 -0.02700 0.24850 -0.11120 1.00000 0.02150 Cl4 -0.07820 0.25894 0.16450 1.00000 0.01920 Cl5 -0.30200 0.75128 -0.22730 1.00000 0.02000 O1 0.09260 0.00110 -0.16340 1.00000 0.03000 O2 0.04130 -0.09310 -0.09750 1.00000 0.03100 O3 -0.40130 0.39970 -0.27700 1.00000 0.01600 O4 -0.34100 0.40830 -0.07300 1.00000 0.02400 O5 -0.07490 0.59500 0.04000 1.00000 0.07700 O6 -0.13310 0.49520 -0.05900 1.00000 0.02700 O7 -0.11850 0.59520 -0.16980 1.00000 0.09900 O8A -0.18390 0.59060 0.01500 0.58000 0.07100 O8B -0.20590 0.59280 -0.11500 0.42000 0.04800 O9 0.22780 0.11530 -0.35260 0.85000 0.00800 O10 -0.04890 0.38950 0.01600 1.00000 0.01400 O11 -0.22550 0.39070 -0.12890 1.00000 0.01000 O12 0.05600 0.11050 -0.02140 1.00000 0.01200 O13 0.00000 0.10310 -0.25000 1.00000 0.00600 O14 -0.15870 0.38870 0.09340 1.00000 0.01400 O15 0.16950 0.10910 -0.09560 1.00000 0.01100 O16 0.22210 0.11260 0.14040 1.00000 0.01800 O17 -0.11720 0.38970 -0.21190 1.00000 0.01500 O18 0.00000 0.38530 0.25000 1.00000 0.01300 O19 0.10770 0.10340 -0.32680 1.00000 0.01200 O20 0.00000 0.62020 0.25000 1.00000 0.01500 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 0.01270 0.01140 0.01220 0.00300 0.00040 -0.00070 Pb2 0.01160 0.00660 0.00970 -0.00080 0.00158 -0.00050 Pb3 0.01260 0.01030 0.01170 -0.00270 -0.00020 0.00100 Pb4 0.01570 0.00760 0.01210 0.00370 0.00320 -0.00090 Pb5 0.01580 0.01040 0.01060 -0.00360 -0.00100 0.00160 Pb6 0.00990 0.00570 0.01110 -0.00010 0.00000 0.00080 Pb7 0.01250 0.01150 0.01250 -0.00150 0.00160 -0.00480 Pb8 0.01310 0.00620 0.01540 -0.00080 0.00140 -0.00330 Pb9 0.01360 0.00760 0.01750 0.00170 0.00350 0.00460 Pb10 0.01330 0.00910 0.01710 -0.00080 0.00250 0.00600 Pb11 0.01700 0.01660 0.01490 0.00280 0.00340 -0.00630 Pb12 0.01530 0.00690 0.01140 -0.00160 0.00160 0.00200 Pb13 0.01330 0.00970 0.01250 0.00190 0.00300 0.00350 Pb14 0.01700 0.01150 0.01260 0.00610 0.00120 -0.00140 Pb15 0.01370 0.00920 0.02050 0.00250 0.00360 0.00690 Pb16 0.01420 0.01170 0.01460 0.00260 0.00560 0.00410 SiT 0.01110 0.01720 0.01040 -0.00160 0.00240 0.00150 AsT 0.01110 0.01720 0.01040 -0.00160 0.00240 0.00150 VT 0.01110 0.01720 0.01040 -0.00160 0.00240 0.00150 MoT 0.01110 0.01720 0.01040 -0.00160 0.00240 0.00150 As1 0.01790 0.01330 0.02250 0.00040 0.00760 0.00100 Cl1 0.02200 0.02400 0.01700 0.00400 0.00700 0.00300 Cl2 0.01600 0.02700 0.01600 0.00100 0.00050 -0.00200 Cl3 0.01900 0.02800 0.01800 -0.00200 0.00470 -0.00650 Cl4 0.02100 0.01710 0.01700 0.00100 -0.00020 0.00320 Cl5 0.01800 0.02700 0.01500 0.00100 0.00440 0.00060