#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103887.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_8103887
loop_
_publ_author_name
'Haines, J.'
'Cambon, O.'
'Hull, S.'
_publ_section_title
;
 Neutron diffraction study of quartz-type Fe P O4: high-temperature
 behavior and alpha-beta phase transition
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              193
_journal_page_last               200
_journal_volume                  218
_journal_year                    2003
_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                   5.13461
_cell_length_b                   5.13461
_cell_length_c                   11.3465
_cell_volume                     259.064
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Haines_ZEKRDZ_2003_789.cif
_cod_data_source_block           Fe1O4P1
_cod_original_cell_volume        259.0643
_cod_original_formula_sum        'Fe1 O4 P1'
_cod_database_code               8103887
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
Fe1 Fe+3 0.4803 0 0.33333 1 0.0
O2 O-2 0.4076 0.2235 0.8964 1 0.0
O1 O-2 0.426 0.2867 0.4043 1 0.0
P1 P+5 0.4729 0 0.83333 1 0.0
