data_global _chemical_name_mineral 'Metarossite' loop_ _publ_author_name 'Kelsey C H' 'Barnes W H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 6 _journal_year 1960 _journal_page_first 448 _journal_page_last 466 _publ_section_title ; The crystal structure of metarossite ; _database_code_amcsd 0005077 _chemical_compound_source 'Thompson's, Utah, USA' _chemical_formula_sum 'Ca V2 O8' _cell_length_a 6.21 _cell_length_b 7.06 _cell_length_c 7.76 _cell_angle_alpha 92.97 _cell_angle_beta 96.65 _cell_angle_gamma 105.78 _cell_volume 323.957 _exptl_crystal_density_diffrn 2.767 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 0.75950 0.46650 0.14700 0.03800 V1 0.44850 0.10200 0.33600 0.03800 V2 0.37500 0.58300 0.34500 0.03800 O1 0.39150 0.84000 0.41700 0.05066 O2 0.51700 0.39200 0.38350 0.05066 O3 0.86100 0.75550 0.36550 0.05066 O4 0.10500 0.47300 0.33450 0.05066 O5 0.19300 0.06350 0.23500 0.05066 O6 0.62450 0.11700 0.18700 0.05066 O7 0.43000 0.60000 0.14600 0.05066 O8 0.00700 0.72100 0.01300 0.05066