data_global _chemical_name_mineral 'Leningradite' loop_ _publ_author_name 'Siidra O I' 'Krivovichev S V' 'Armbruster T' 'Filatov S K' 'Pekov I V' _journal_name_full 'The Canadian Mineralogist' _journal_volume 45 _journal_year 2007 _journal_page_first 445 _journal_page_last 449 _publ_section_title ; The crystal structure of leningradite, PbCu3(VO4)2Cl2 Note: Changed signs of Cu2(y) and Cl(y) by personal communication with Krivovichev ; _database_code_amcsd 0006144 _chemical_compound_source 'Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia' _chemical_formula_sum 'Pb Cu3 V2 O8 Cl2' _cell_length_a 9.005 _cell_length_b 11.046 _cell_length_c 9.349 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 929.938 _exptl_crystal_density_diffrn 4.990 _symmetry_space_group_name_H-M 'I b a m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' '-x,y,1/2-z' '1/2-x,1/2+y,-z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb 0.50000 0.00000 0.25000 0.02100 Cu1 0.00000 0.00000 0.00000 0.01420 Cu2 0.25095 -0.32837 0.00000 0.01280 V 0.50000 0.29546 0.25000 0.00730 O1 0.09810 0.11070 0.13540 0.01260 O2 0.38710 0.20150 0.15650 0.01410 Cl 0.31160 -0.08340 0.00000 0.02100 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 Pb 0.02620 0.01530 0.02150 0.00000 0.00000 0.00000 Cu1 0.01760 0.01460 0.01040 -0.00500 0.00000 0.00000 Cu2 0.00890 0.01980 0.00960 0.00350 0.00000 0.00000 V 0.00720 0.00930 0.00540 0.00000 0.00050 0.00000 O1 0.01230 0.01300 0.01300 -0.00340 -0.00220 0.00210 O2 0.01700 0.01500 0.01100 -0.00050 -0.00320 -0.00090 Cl 0.02080 0.01830 0.02380 0.00290 0.00000 0.00000