data_global _chemical_name_mineral 'Senegalite' loop_ _publ_author_name 'Keegan T D' 'Araki T' 'Moore P B' _journal_name_full 'American Mineralogist' _journal_volume 64 _journal_year 1979 _journal_page_first 1243 _journal_page_last 1247 _publ_section_title ; Senegalite, Al2(OH)3(H2O)(PO4), a novel structure type ; _database_code_amcsd 0000752 _chemical_formula_sum 'Al2 P O8 H5' _cell_length_a 7.675 _cell_length_b 9.711 _cell_length_c 7.635 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 569.051 _exptl_crystal_density_diffrn 2.544 _symmetry_space_group_name_H-M 'P 21 n b' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2-z' '1/2+x,1/2-y,1/2+z' '1/2+x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al(1) 0.50000 0.19887 0.52290 Al(2) 0.88320 0.34948 0.66200 P 0.51930 0.48252 0.68687 O(1) 0.71790 0.48180 0.72060 O(2) 0.43110 0.56150 0.83750 O(3) 0.44650 0.33490 0.68820 O(4) 0.48450 0.55020 0.51160 O-H(1) 0.72550 0.25520 0.51340 O-H(2) 0.04230 0.42540 0.82940 O-H(3) 0.83100 0.24520 0.86980 Wat 0.05210 0.20180 0.60500 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(1) 0.00716 0.00554 0.00827 0.00038 -0.00089 0.00000 Al(2) 0.00657 0.00645 0.00827 0.00038 -0.00089 -0.00038 P 0.00668 0.00530 0.00794 0.00038 -0.00059 0.00000 O(1) 0.00627 0.00812 0.01920 -0.00038 -0.00237 0.00150 O(2) 0.01194 0.00812 0.01358 -0.00038 -0.00237 0.00376 O(3) 0.01134 0.00717 0.01388 -0.00227 0.00267 -0.00113 O(4) 0.01701 0.01338 0.01181 0.00302 0.00208 -0.00413 O-H(1) 0.00776 0.01290 0.01270 0.00264 -0.00059 0.00451 O-H(2) 0.00716 0.00860 0.01181 -0.00113 -0.00119 0.00150 O-H(3) 0.00925 0.00717 0.01122 0.00189 -0.00178 -0.00188 Wat 0.01283 0.01003 0.01772 0.00151 0.00356 0.00038