data_global _chemical_name_mineral 'Babefphite' loop_ _publ_author_name 'Shashkin D N' 'Simonov M A' 'Belov N V' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 176 _journal_year 1967 _journal_page_first 1392 _journal_page_last 1395 _publ_section_title ; Crystal structure of babepfite BaBePO4F = Ba(Be,P)2O4F ; _database_code_amcsd 0012446 _chemical_formula_sum 'Ba (P Be) O4 F' _cell_length_a 6.93 _cell_length_b 16.740 _cell_length_c 6.93 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 803.937 _exptl_crystal_density_diffrn 4.301 _symmetry_space_group_name_H-M 'F d d 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '1/4+x,1/4-y,1/4+z' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4-x,1/4+y,1/4+z' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '-x,1/2-y,1/2+z' '-x,-y,+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 _atom_site_U_iso_or_equiv Ba 0.00000 0.00000 0.00000 1.00000 0.00887 P 0.00400 0.08300 0.50500 0.50000 0.00887 Be 0.00400 0.08300 0.50500 0.50000 0.00887 O1 0.04600 0.15500 0.63000 0.50000 0.00887 O2 0.00000 0.00000 0.59800 1.00000 0.00887 O3 -0.20400 0.09500 0.37000 0.50000 0.00887 O4 0.16700 0.07800 0.34000 0.50000 0.00887 F 0.16700 0.07800 0.34000 0.50000 0.00887