data_global _chemical_name_mineral 'Hannayite' loop_ _publ_author_name 'Catti M' 'Franchini-Angela M' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 32 _journal_year 1976 _journal_page_first 2842 _journal_page_last 2848 _publ_section_title ; Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O (hannayite), and crystal-chemical relationships with schertelite and struvite ; _database_code_amcsd 0009576 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'N2 H28 Mg3 P4 O24' _cell_length_a 10.728 _cell_length_b 7.670 _cell_length_c 6.702 _cell_angle_alpha 97.87 _cell_angle_beta 96.97 _cell_angle_gamma 104.74 _cell_volume 521.225 _exptl_crystal_density_diffrn 2.029 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv N 0.20940 0.52660 0.31440 ? H11 0.14700 0.56900 0.34000 0.01773 H12 0.22600 0.46200 0.41700 0.01013 H13 0.18200 0.44700 0.19400 0.00760 H14 0.27800 0.62000 0.31300 0.03040 Mg1 0.00000 0.00000 0.00000 ? Mg2 0.40280 0.24050 0.66220 ? P1 0.12828 0.33408 0.75136 ? P2 0.52884 0.69239 0.79383 ? O1 -0.00670 0.29610 0.62750 ? O2 0.12720 0.22820 0.92990 ? O3 0.22920 0.30250 0.62060 ? O-h4 0.17230 0.54550 0.85220 ? O-h5 0.62330 0.77020 0.01070 ? O6 0.59280 0.80570 0.64410 ? O7 0.51840 0.49260 0.73770 ? O8 0.40210 0.73630 0.83480 ? Ow1 0.05500 -0.17700 0.77610 ? Ow2 0.14760 -0.02900 0.20310 ? Ow3 0.29910 -0.03890 0.62550 ? Ow4 0.57370 0.16050 0.74950 ? H1 0.24800 0.58700 0.84000 0.01267 H2 0.70500 0.77900 0.00500 0.01140 H3 0.02700 -0.22800 0.64400 0.00887 H4 0.09100 -0.25800 0.81600 0.02786 H5 0.22500 0.05300 0.26700 0.01140 H6 0.11900 -0.10400 0.28600 0.00253 H7 0.23100 -0.04900 0.67600 0.00887 H8 0.33900 -0.10700 0.68600 0.00760 H9 0.58900 0.18200 0.87600 0.00507 H10 0.57900 0.05700 0.71000 0.00253 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 N 0.02140 0.03002 0.02026 0.01013 0.00709 0.00671 Mg1 0.01076 0.01456 0.01115 0.00152 0.00228 0.00494 Mg2 0.01089 0.01102 0.00963 0.00228 0.00266 0.00228 P1 0.00772 0.01115 0.00937 0.00253 0.00190 0.00355 P2 0.00836 0.00836 0.00709 0.00152 0.00215 0.00215 O1 0.01254 0.02533 0.01621 0.00570 0.00583 0.00633 O2 0.01292 0.02026 0.01608 0.00215 0.00190 0.00811 O3 0.01558 0.02242 0.01444 0.00760 0.00583 0.00595 O-h4 0.01697 0.01444 0.02685 0.00253 0.00671 0.00152 O-h5 0.01228 0.02330 0.01038 0.00354 0.00317 0.00291 O6 0.01798 0.01355 0.01228 0.00177 0.00608 0.00443 O7 0.01824 0.01292 0.01989 0.00291 0.00431 0.00380 O8 0.01241 0.01887 0.01811 0.00481 0.00494 0.00469 Ow1 0.02761 0.02381 0.01672 0.01127 0.00494 0.00177 Ow2 0.01608 0.02875 0.02204 -0.00012 -0.00329 0.01317 Ow3 0.01647 0.01659 0.01963 0.00279 0.00367 0.00633 Ow4 0.01900 0.01495 0.01520 0.00646 0.00291 0.00190