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 = 92 C ; _database_code_amcsd 0007987 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Al P O4' _cell_length_a 4.949 _cell_length_b 4.949 _cell_length_c 10.955 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 232.369 _exptl_crystal_density_diffrn 2.614 _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 0.46723 0.00000 0.33333 0.00950 P 0.46778 0.00000 0.83333 0.00950 O1 0.41642 0.28996 0.26852 0.01770 O2 0.41583 0.25543 0.78216 0.01750 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 0.01066 0.00802 0.00882 0.00401 0.00014 0.00029 P 0.01082 0.00781 0.00894 0.00390 0.00018 0.00036 O1 0.02405 0.01713 0.01617 0.01341 0.00392 0.00590 O2 0.02344 0.01610 0.01794 0.01354 0.00535 0.00671