data_global _chemical_name_mineral 'Cavoite' loop_ _publ_author_name 'Bouloux J C' 'Galy J' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 269 _journal_page_last 275 _publ_section_title ; Les hypovanadates MV3O7 (M=Ca,Sr,Cd). Structure cristalline de CaV3O7 ; _database_code_amcsd 0009473 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca V3 O7' _cell_length_a 10.459 _cell_length_b 5.295 _cell_length_c 10.382 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 574.959 _exptl_crystal_density_diffrn 3.522 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-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 Ca 0.41560 0.20110 0.25000 0.00963 V1 0.18760 0.21700 0.02050 0.00861 V2 0.21110 0.70820 0.25000 0.00811 O1 0.28000 0.47400 0.11900 0.01064 O2 0.27400 0.95100 0.11900 0.00925 O3 0.04200 0.23200 0.06500 0.01494 O4 0.06100 0.69800 0.25000 0.01646