data_global _chemical_name_mineral 'Kryzhanovskite' loop_ _publ_author_name 'Moore P B' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 1 _journal_page_last 17 _publ_section_title ; The Fe3(H2O)n(PO4)2 homologous series: Crystal-chemical relationships and oxidized equivalents ; _database_code_amcsd 219 _chemical_formula_sum 'Fe3 P2 (O11 H3)' _cell_length_a 9.404 _cell_length_b 9.973 _cell_length_c 8.536 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 800.558 _exptl_crystal_density_diffrn 3.389 _symmetry_space_group_name_H-M 'P b n a' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,z' 'x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+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 Fe1 0.0 0.0 0.0 0.00773 Fe2 0.448 -0.1115 0.1367 0.01089 P 0.7097 0.1032 0.2106 0.00532 O-H1 0.4314 0.25 0.0 0.02153 O2 0.2141 0.2532 0.3273 0.00963 O3 0.1114 0.0336 0.4092 0.01203 O4 0.1573 0.0839 0.1142 0.0114 O5 0.3581 0.0446 0.3027 0.01127 O-H6 0.47 0.3385 0.3631 0.01532