data_global _chemical_name_mineral 'Berdesinskiite' loop_ _publ_author_name 'Armbruster T' 'Galuskin E V' 'Reznitsky L Z' 'Sklyarov E V' _journal_name_full 'European Journal of Mineralogy' _journal_volume 21 _journal_year 2009 _journal_page_first 885 _journal_page_last 891 _publ_section_title ; X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Sample: III-9-11 ; _database_code_amcsd 0007331 _chemical_compound_source 'Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia' _chemical_formula_sum 'V1.622 Ti.758 Cr.61 Al.006 Mg.004 O5' _cell_length_a 10.0448 _cell_length_b 5.0393 _cell_length_c 6.9890 _cell_angle_alpha 90 _cell_angle_beta 111.486 _cell_angle_gamma 90 _cell_volume 329.190 _exptl_crystal_density_diffrn 4.659 _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 V4+1 0.00000 0.00000 0.00000 0.24200 0.00400 Ti4+1 0.00000 0.00000 0.00000 0.75800 0.00400 V3+2 -0.13074 -0.49931 -0.22042 0.69000 0.00780 Cr3+2 -0.13074 -0.49931 -0.22042 0.30500 0.00780 Al2 -0.13074 -0.49931 -0.22042 0.00300 0.00780 Mg2 -0.13074 -0.49931 -0.22042 0.00200 0.00780 O1 0.19060 0.15570 0.15720 1.00000 0.00920 O2 0.08090 -0.34390 -0.05550 1.00000 0.00690 O3 0.00000 0.19530 -0.25000 1.00000 0.00700 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 V4+1 0.00440 0.00340 0.00440 -0.00020 0.00200 -0.00040 Ti4+1 0.00440 0.00340 0.00440 -0.00020 0.00200 -0.00040 V3+2 0.00850 0.00800 0.00770 0.00050 0.00410 -0.00040 Cr3+2 0.00850 0.00800 0.00770 0.00050 0.00410 -0.00040 Al2 0.00850 0.00800 0.00770 0.00050 0.00410 -0.00040 Mg2 0.00850 0.00800 0.00770 0.00050 0.00410 -0.00040