data_global _chemical_name_mineral 'Berlinite' loop_ _publ_author_name 'Christie D M' 'Chelikowsky J R' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 25 _journal_year 1998 _journal_page_first 222 _journal_page_last 226 _publ_section_title ; Structural properties of alpha-berlinite (AlPO4) Sample: V = 75.00, theoretical ; _database_code_amcsd 0008131 _chemical_formula_sum 'Al P O4' _cell_length_a 4.8955 _cell_length_b 4.8955 _cell_length_c 10.841 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 225.006 _exptl_crystal_density_diffrn 2.700 _symmetry_space_group_name_H-M 'P 31 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,1/3-z' '-y,x-y,1/3+z' '-x,-x+y,2/3-z' '-x+y,-x,2/3+z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al 0.46300 0.00000 0.00000 P 0.46350 0.00000 0.50000 O1 0.41450 0.29750 0.06160 O2 0.41350 0.26400 0.54820