data_global
_chemical_name_mineral 'Phosphoferrite'
loop_
_publ_author_name
'Eversheim P'
'Kleber W'
_journal_name_full 'Acta Crystallographica'
_journal_volume 6 
_journal_year 1953
_journal_page_first 215
_journal_page_last 216
_publ_section_title
;
 Morphologie und struktur des reddingits, P2O5*3FeO*3H2O
 Note: z(FeII) adjusted to match symmetry constraint
;
_database_code_amcsd 0009153
_chemical_formula_sum 'Fe3 P2 O11 H6'
_cell_length_a 8.73
_cell_length_b 10.152
_cell_length_c 9.57
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 848.160
_exptl_crystal_density_diffrn      3.223
_symmetry_space_group_name_H-M 'P c m b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '-x,y,1/2+z'
  'x,-y,1/2-z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
FeI   0.22000   0.25000   0.50000
FeIIA   0.02500   0.00000   0.25000
FeIIB   0.52500   0.00000   0.25000
P1   0.18000   0.25000   0.16000
P2   0.68000   0.25000   0.16000
OIA   0.05700   0.25000   0.32000
OIB   0.55700   0.25000   0.32000
OIIA   0.34000   0.25000   0.27500
OIIB   0.84000   0.25000   0.27500
OIIIA   0.20000   0.12500   0.11500
OIIIB   0.70000   0.12500   0.11500
Wat7   0.17000   0.10000   0.45000
Wat8   0.50000   0.25000   0.50000