data_global _amcsd_formula_title 'O7 P1.901 Ta0.899' loop_ _publ_author_name 'Oyetola S' 'Verbaere A' 'Guyomard D' 'Crosnier M' 'Piffard Y' 'Tournoux M' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 28 _journal_year 1991 _journal_page_first 23 _journal_page_last 36 _publ_section_title ; New ZrP2O7-like diphosphates of either mixed (M^III^1/2M'^V^1/2) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure _cod_database_code 1000328 ; _database_code_amcsd 0012541 _chemical_formula_sum 'Ta.899 P1.902 O7' _cell_length_a 8.109 _cell_length_b 8.109 _cell_length_c 8.109 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 533.214 _exptl_crystal_density_diffrn 4.155 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta1 0.00000 0.00000 0.00000 0.89900 P1 0.39250 0.39250 0.39250 0.95100 O1 0.40760 0.43680 0.21170 1.00000 O2 0.50000 0.50000 0.50000 1.00000