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