data_global _chemical_name_mineral 'Berlinite' loop_ _publ_author_name 'Muraoka Y' 'Kihara K' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 24 _journal_year 1997 _journal_page_first 243 _journal_page_last 253 _publ_section_title ; The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 458 C ; _database_code_amcsd 0007991 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Al P O4' _cell_length_a 4.9939 _cell_length_b 4.9939 _cell_length_c 11.010 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 237.792 _exptl_crystal_density_diffrn 2.555 _symmetry_space_group_name_H-M 'P 32 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,1/3-z' '-y,x-y,2/3+z' '-x,-x+y,-z' '-x+y,-x,1/3+z' 'x-y,-y,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Al 0.47471 0.00000 0.33333 0.01840 P 0.47573 0.00000 0.83333 0.01890 O1 0.41851 0.27687 0.26408 0.03830 O2 0.41907 0.24246 0.77708 0.03840 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 Al 0.02104 0.01522 0.01695 0.00761 0.00010 0.00019 P 0.02135 0.01508 0.01812 0.00754 0.00027 0.00053 O1 0.04893 0.03700 0.03666 0.02743 0.00540 0.01554 O2 0.04891 0.03731 0.04035 0.03006 0.01189 0.01908