data_global _amcsd_formula_title 'MgVO3' loop_ _publ_author_name 'Bouloux J C' 'Milosevic I' 'Galy J' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 16 _journal_year 1976 _journal_page_first 393 _journal_page_last 398 _publ_section_title ; Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure cristalline de MgVO3 ; _database_code_amcsd 0013332 _chemical_formula_sum 'Mg V O3' _cell_length_a 5.243 _cell_length_b 10.028 _cell_length_c 5.290 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 278.131 _exptl_crystal_density_diffrn 2.943 _symmetry_space_group_name_H-M 'C m c 21' 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,z' '1/2-x,1/2+y,z' '-x,-y,1/2+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 Mg 0.00000 0.42670 0.00000 V 0.00000 0.06860 0.01100 O1 0.23830 -0.00500 0.26400 O2 0.00000 0.23300 0.02500 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 Mg 0.00668 0.00713 0.00269 0.00000 0.00000 0.00081 V 0.00460 0.00408 0.00581 0.00000 0.00000 0.00027 O1 0.00599 0.00968 0.00496 0.00133 0.00787 -0.00040 O2 0.02535 0.00509 0.01318 0.00000 0.00000 0.00376