data_global _chemical_name_mineral 'Vladkrivovichevite' 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 256 _journal_page_last 261 _publ_section_title ; Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8*2H2O ; _database_code_amcsd 0019712 _chemical_compound_source 'Kombat mine, Grootfontein, Namibia' _chemical_formula_sum 'Pb36 Mn2 Cl14 O45 B8 H4' _cell_length_a 12.759 _cell_length_b 27.169 _cell_length_c 11.515 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3991.667 _exptl_crystal_density_diffrn 7.385 _symmetry_space_group_name_H-M 'P m m n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,y,z' '1/2+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 Pb1 0.60145 -0.03386 0.08290 1.00000 0.00610 Pb2 0.40209 -0.10963 0.91911 1.00000 0.00800 Pb3 0.59916 -0.03388 0.75152 1.00000 0.00630 Pb4 0.59906 0.10875 0.74916 1.00000 0.00640 Pb5 0.59914 0.25000 0.41533 1.00000 0.00810 Pb6 0.59687 0.25000 0.74897 1.00000 0.00770 Pb7 0.39464 0.17892 0.57936 1.00000 0.00770 Pb8 0.60101 0.10589 0.41831 1.00000 0.00700 Pb9 0.59948 -0.03728 0.41594 1.00000 0.00620 Pb10 0.25000 0.15335 0.08140 1.00000 0.02290 Pb11 0.25000 0.25000 0.30130 1.00000 0.01940 Pb12 0.25000 0.25000 -0.15110 1.00000 0.01920 Mn 0.08090 0.25000 0.08310 1.00000 0.00800 Cl1 0.75000 0.04080 0.58570 1.00000 0.01600 Cl2 0.25000 0.11610 0.40950 1.00000 0.02100 Cl3 0.75000 0.18450 0.57930 1.00000 0.01900 Cl4 0.75000 0.03930 0.23870 1.00000 0.01500 Cl5 0.25000 0.11700 0.75400 1.00000 0.01600 Cl6 0.25000 -0.04210 0.08060 1.00000 0.01800 Cl7A -0.17940 0.25000 0.08700 0.50000 0.02800 Cl7B -0.09770 0.25000 0.05900 0.50000 0.02800 O1 0.50560 0.03930 0.75800 1.00000 0.00700 O2 0.48780 -0.04000 0.91900 1.00000 0.00700 O3 0.51230 -0.12240 0.75900 1.00000 0.01900 O4 0.47500 0.18750 0.78000 1.00000 0.01400 O5 0.48210 0.18560 0.38400 1.00000 0.01800 O6 0.51690 -0.12570 0.07300 1.00000 0.01200 O7 0.25000 0.25000 0.10400 1.00000 0.03600 O8 0.63340 -0.19520 0.04790 1.00000 0.01300 O9 0.12230 0.30750 0.21200 1.00000 0.02200 O10 0.50410 0.03770 0.41100 1.00000 0.01000 O11 0.50110 0.11560 0.58100 1.00000 0.01000 O12 0.51450 0.25000 0.58100 1.00000 0.01000 Wat1 -0.25000 0.31620 0.23100 0.50000 0.02500 Wat2 -0.25000 0.31670 -0.08900 0.50000 0.05700 B1 0.45010 0.16840 0.28200 1.00000 0.01000 B2 0.55540 -0.17180 0.11500 1.00000 0.01000 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 0.00140 0.00630 0.01060 0.00180 0.00110 0.00010 Pb2 0.00500 0.00660 0.01250 -0.00250 -0.00040 0.00020 Pb3 0.00210 0.00610 0.01090 0.00150 0.00000 -0.00010 Pb4 0.00340 0.00470 0.01130 -0.00160 -0.00160 0.00030 Pb5 0.00460 0.00710 0.01290 0.00000 0.00330 0.00000 Pb6 0.00410 0.00600 0.01290 0.00000 -0.00260 0.00000 Pb7 0.00260 0.00410 0.01650 0.00190 0.00000 -0.00020 Pb8 0.00410 0.00520 0.01190 -0.00150 0.00160 -0.00130 Pb9 0.00180 0.00500 0.01190 0.00020 0.00060 -0.00050 Pb10 0.01380 0.02250 0.03240 0.00000 0.00000 0.00270 Pb11 0.01530 0.02550 0.01730 0.00000 0.00000 0.00000 Pb12 0.01130 0.02420 0.02200 0.00000 0.00000 0.00000 Mn 0.01900 0.00000 0.00400 0.00000 0.00000 0.00000 Cl1 0.01400 0.01200 0.02400 0.00000 0.00000 0.00500 Cl2 0.01300 0.01700 0.03300 0.00000 0.00000 -0.01400 Cl3 0.02100 0.00900 0.02800 0.00000 0.00000 0.00000 Cl4 0.01900 0.01200 0.01500 0.00000 0.00000 -0.00100 Cl5 0.00700 0.01900 0.02400 0.00000 0.00000 -0.00200 Cl6 0.01200 0.01800 0.02700 0.00000 0.00000 0.00800 O1 0.00500 0.00900 0.00900 0.00000 -0.00300 -0.00600 O2 0.00600 0.00600 0.00900 0.00300 -0.00100 -0.00200 O3 0.03200 0.00800 0.01800 -0.00100 0.00200 0.00200 O4 0.02200 0.00800 0.01400 -0.00400 -0.00100 -0.00200 O5 0.02700 0.02100 0.00700 -0.01400 0.00600 -0.00900 O6 0.01300 0.00700 0.01700 0.00200 -0.00300 0.00600 O7 0.02900 0.05000 0.02000 0.00000 0.00000 0.00000