data_global _amcsd_formula_title 'LiVSi2O6' loop_ _publ_author_name 'Redhammer G J' 'Roth G' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 219 _journal_year 2004 _journal_page_first 278 _journal_page_last 294 _publ_section_title ; Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiV ; _database_code_amcsd 0011112 _chemical_formula_sum 'Li V Si2 O6' _cell_length_a 9.657 _cell_length_b 8.623 _cell_length_c 5.287 _cell_angle_alpha 90 _cell_angle_beta 110.15 _cell_angle_gamma 90 _cell_volume 413.314 _exptl_crystal_density_diffrn 3.376 _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 Li 0.00000 0.26780 0.25000 0.01240 V 0.00000 0.90589 0.25000 0.00230 Si 0.29678 0.09058 0.26850 0.00240 O1 0.11700 0.08580 0.15530 0.00380 O2 0.36890 0.25990 0.32730 0.00720 O3 0.35570 -0.00230 0.05680 0.00770