data_global _chemical_name_mineral 'Vanadinite' loop_ _publ_author_name 'Laufek F' 'Skala R' 'Haloda J' 'Cisarova I' _journal_name_full 'Journal of the Czech Geological Society' _journal_volume 51 _journal_year 2006 _journal_page_first 271 _journal_page_last 275 _publ_section_title ; Crystal structure of vanadinite: refinement of anisotropic displacement parameters ; _database_code_amcsd 0014110 _chemical_compound_source 'Mibladen, Morocco' _chemical_formula_sum 'Pb5 V3 O12 Cl' _cell_length_a 10.2990 _cell_length_b 10.2990 _cell_length_c 7.3080 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 671.304 _exptl_crystal_density_diffrn 7.007 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-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 0.33333 0.66667 0.00786 0.00900 Pb2 0.25542 0.01425 0.25000 0.01010 V 0.40970 0.38360 0.25000 0.00540 O1 0.33290 0.49730 0.25000 0.01300 O2 0.60390 0.48570 0.25000 0.01400 O3 0.35870 0.26890 0.06440 0.01700 Cl 0.00000 0.00000 0.00000 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 0.01070 0.01070 0.00550 0.00538 0.00000 0.00000 Pb2 0.00810 0.00630 0.01460 0.00250 0.00000 0.00000 V 0.00640 0.00510 0.00510 0.00330 0.00000 0.00000 O1 0.02100 0.02000 0.01000 0.01700 0.00000 0.00000 O2 0.01000 0.01300 0.01900 0.00400 0.00000 0.00000 O3 0.02300 0.02000 0.01500 0.01600 0.01000 0.00900 Cl 0.01120 0.01120 0.00750 0.00560 0.00000 0.00000