data_global _chemical_name_mineral 'Kombatite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'American Mineralogist' _journal_volume 79 _journal_year 1994 _journal_page_first 550 _journal_page_last 554 _publ_section_title ; The crystal structure of kombatite, Pb14(VO4)2O9Cl4, a complex heteropolyhedral sheet mineral ; _database_code_amcsd 0001661 _chemical_formula_sum 'Pb14 V2 Cl4 O17' _cell_length_a 12.682 _cell_length_b 22.566 _cell_length_c 11.279 _cell_angle_alpha 90 _cell_angle_beta 118.11 _cell_angle_gamma 90 _cell_volume 2847.105 _exptl_crystal_density_diffrn 7.970 _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_U_iso_or_equiv Pb1 0.11360 0.08410 0.18070 ? Pb2 0.37060 0.08760 0.07610 ? Pb3 0.12710 0.42190 0.45470 ? Pb4 0.37800 0.41740 0.30740 ? Pb5 0.35410 0.19480 0.30010 ? Pb6 0.12130 0.19880 0.42110 ? Pb7 0.39980 0.30340 0.06170 ? V 0.13600 0.32140 0.17650 0.00900 Cl1 0.37200 0.49570 0.06000 0.02040 Cl2 0.37390 0.01340 0.29820 0.01590 O1 0.23800 0.14600 0.11400 0.01490 O2 0.25300 0.13500 0.38100 0.01970 O3 0.47600 0.35800 0.48700 0.00320 O4 0.01000 0.35100 0.04500 0.02060 O5 0.25100 0.34000 0.14300 0.01250 O6 0.00000 0.14500 0.25000 0.01190 O7 0.50000 0.14500 0.25000 0.01450 O8 0.50000 0.36800 0.25000 0.01880 O9 0.17200 0.35200 0.32800 0.02660 O10 0.10400 0.24900 0.17200 0.06510 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 0.01040 0.01280 0.01140 0.00110 0.00580 -0.00210 Pb2 0.01140 0.01550 0.01350 -0.00230 0.00570 -0.00250 Pb3 0.01460 0.01220 0.01220 0.00190 0.00770 0.00110 Pb4 0.01320 0.01330 0.01060 0.00400 0.00690 -0.00160 Pb5 0.01420 0.01010 0.01540 -0.00070 0.00820 -0.00090 Pb6 0.01350 0.01360 0.01360 -0.00390 0.00700 -0.00400 Pb7 0.00950 0.01190 0.01420 0.00080 0.00630 0.00030