data_global
_amcsd_formula_title 'Fe3(H2O)[PO4]2'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 454
_journal_page_last 459
_publ_section_title
;
 The Fe3(H2O)n[PO4]2 homologous series. II. The crystal structure of
 Fe3(H2O)[PO4]2
;
_database_code_amcsd 462
_chemical_formula_sum 'Fe3 P2 O9 H2'
_cell_length_a 9.431
_cell_length_b 10.066
_cell_length_c 8.04
_cell_angle_alpha 90.0
_cell_angle_beta 117.6
_cell_angle_gamma 90.0
_cell_volume 676.401
_exptl_crystal_density_diffrn  3.687
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+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
Fe1   0.0315  0.1359  0.413  0.01039
Fe2   0.4386  0.8771  0.0749  0.00874
Fe3   0.2813  0.1241  0.2628  0.00773
P1   0.674  0.0873  0.3786  0.00621
P2   0.1343  0.832  0.0262  0.00697
O1   0.8035  0.1876  0.395  0.00912
O2   0.7485  -0.0292  0.5172  0.00849
O3   0.534  0.1566  0.411  0.00988
O4   0.5993  0.0308  0.1747  0.01001
O5   -0.0188  0.8713  -0.1491  0.01064
O6   0.2533  0.9497  0.1113  0.00988
O7   0.0909  0.774  0.1723  0.01153
O8   0.2342  0.7328  -0.0255  0.01026
Wat   0.0715  0.0825  0.684  0.01241