data_global _chemical_name_mineral 'Augelite' loop_ _publ_author_name 'Araki T' 'Finney J J' 'Zoltai T' _journal_name_full 'American Mineralogist' _journal_volume 53 _journal_year 1968 _journal_page_first 1096 _journal_page_last 1103 _publ_section_title ; The crystal structure of augelite ; _database_code_amcsd 177 _chemical_formula_sum 'Al2 P O7 H3' _cell_length_a 13.124 _cell_length_b 7.988 _cell_length_c 5.066 _cell_angle_alpha 90.0 _cell_angle_beta 112.25 _cell_angle_gamma 90.0 _cell_volume 491.547 _exptl_crystal_density_diffrn 2.702 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al1 0.0 0.1989 0.0 Al2 0.1889 0.0 0.9792 P 0.3528 0.0 0.6278 O1 0.2576 0.0 0.7322 O2 0.3038 0.0 0.3003 O3 0.4215 0.1563 0.717 O-H1 0.0853 0.0 0.198 O-H2 0.1071 0.1813 0.8431 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 Al1 0.0071 0.0044 0.00639 0.0 0.00415 0.0 Al2 0.00553 0.00601 0.00265 0.0 0.00185 0.0 P 0.00419 0.00407 0.0012 0.0 0.00118 0.0 O1 0.01024 0.015 0.00698 0.0 0.00499 0.0 O2 0.00942 0.0332 0.00297 0.0 0.00225 0.0 O3 0.02093 0.01516 0.02288 -0.01131 0.01472 -0.01233 O-H1 0.00942 0.00918 0.00409 0.0 0.00164 0.0 O-H2 0.01218 0.00882 0.01203 0.00251 0.00767 0.00275