#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008509.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008509
_chemical_name_systematic          'Diiron(III) trisodium tris(phosphate)'
_chemical_formula_structural       'Fe2 Na3 (P O4)3'
_chemical_formula_sum              'Fe2 Na3 O12 P3'
_publ_section_title
;
Powder neutron diffraction study of Fe~2~Na~3~(P O~4~)~3~ in the low
temperature phase
;
loop_
_publ_author_name
  'Fanjat, N'
  'Soubeyroux, J L'
_journal_name_full                 'Journal of Magnetism and Magnetic Materials'
_journal_coden_ASTM                JMMMDC
_journal_volume                    104
_journal_year                      1992
_journal_page_first                933
_journal_page_last                 934
_cell_length_a                     15.07(7)
_cell_length_b                     8.740(5)
_cell_length_c                     8.724(9)
_cell_angle_alpha                  90
_cell_angle_beta                   125.1(1)
_cell_angle_gamma                  90
_cell_volume                       940.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe3+   3.000
  O2-   -2.000
  P5+    5.000
  Na1+   1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Fe1   Fe3+   8 f 0.109(8) 0.235(1) 0.059(1) 1.  0 d
  O1    O2-    8 f 0.145(8) 0.43 0.224(7) 1.  0 d
  O2    O2-    8 f 0.416(2) 0.461(3) 0.059(3) 1.  0 d
  O3    O2-    8 f 0.258(3) 0.171(2) 0.243(5) 1.  0 d
  O4    O2-    8 f 0.328(1) 0.144(4) 0.070(2) 1.  0 d
  O5    O2-    8 f 0.472(9) 0.151(8) 0.436(3) 1.  0 d
  O6    O2-    8 f 0.074(4) 0.140(8) 0.243(5) 1.  0 d
  P1    P5+    8 f 0.358 0.107(8) 0.270(8) 1.  0 d
  P2    P5+    4 e 0. 0.033(2) 0.25 1.  0 d
  Na1   Na1+   4 d 0.25 0.25 0.5 1.  0 d
  Na2   Na1+   8 f 0.331(4) 0.368(9) 0.282(2) 1.  0 d
_refine_ls_R_factor_all            0.0176