data_global _chemical_name_mineral 'Schertelite' loop_ _publ_author_name 'Khan A A' 'Baur W H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 28 _journal_year 1972 _journal_page_first 683 _journal_page_last 693 _publ_section_title ; Salt hydrates. VIII. The crystal structures of sodium ammonium orthochromate dihydrate and magnesium diammonium bis(hydrogen orthophosphate) tetrahydrate and a discussion of the ammonium ion ; _database_code_amcsd 0009429 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg N2 P2 O12 H10' _cell_length_a 11.49 _cell_length_b 23.66 _cell_length_c 8.62 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2343.376 _exptl_crystal_density_diffrn 1.793 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Mg 0.20430 0.37060 0.98790 0.02153 NH41 0.10200 0.21500 0.12100 0.01267 NH42 0.27000 0.47000 0.35600 0.00633 P1 0.42420 0.16790 0.03140 0.02026 P2 0.46990 0.41980 0.07100 0.01900 O1 0.38500 0.10700 0.04800 0.02786 O2 0.34400 0.21100 0.10800 0.02913 O3 0.05600 0.17500 0.43900 0.01900 O-H4 0.40400 0.31400 0.34800 0.03673 O5 0.01700 0.36200 0.38800 0.03166 O6 0.33800 0.42300 0.06700 0.02280 O7 0.02200 0.46600 0.32800 0.02913 O-H8 0.52200 0.06900 0.39800 0.03673 Wat9 0.08900 0.44100 0.03400 0.01646 Wat10 0.19500 0.33500 0.21100 0.02026 Wat11 0.21600 0.09800 0.26400 0.02786 Wat12 0.30300 0.19700 0.42200 0.03546