#------------------------------------------------------------------------------
#$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532906.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_1532906
loop_
_publ_author_name
'Mittal, R.'
'Loong, C.-K.'
'Kolesnikov, A.I.'
'Chaplot, S.L.'
'Kulshreshtha, S.K.'
'Jayakumar, O.D.'
_publ_section_title
;
 Inelastic neutron scattering, lattice dynamics and synchrotron X-ray
 diffraction study of Fe P O4
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              174304-1
_journal_page_last               174304-7
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Fe O4 P'
_chemical_name_systematic        'Fe (P O4)'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.039
_cell_length_b                   5.039
_cell_length_c                   11.412
_cell_volume                     250.946
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Mittal_PRBMDO_2002_615.cif
_cod_data_source_block           Fe1O4P1
_cod_original_cell_volume        250.9465
_cod_original_formula_sum        'Fe1 O4 P1'
_cod_database_code               1532906
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P1 P+5 0.441 0 0.8333 1 0.0
O2 O-2 0.405 0.261 0.878 1 0.0
Fe1 Fe+3 0.449 0 0.3333 1 0.0
O1 O-2 0.438 0.332 0.4 1 0.0