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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012512.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012512
loop_
_publ_author_name
'Long, G. J.'
'Cheetham, A. K.'
'Battle, P. D.'
_publ_section_title
;
 Study of the iron-phosphorus-oxygen system by Mossbauer effect,
 neutron diffraction, magnetic susceptibility, and analytical electron
 microscopy: some pitfalls and solutions in the analysis of a complex mixture
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3012
_journal_page_last               3016
_journal_paper_doi               10.1021/ic00163a007
_journal_volume                  22
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O4 P'
_chemical_name_mineral           Rodolicoite
_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_length_a                   5.036
_cell_length_b                   5.036
_cell_length_c                   11.255
_cell_formula_units_Z            3
_cell_volume                     247.199
_database_code_amcsd             0012693
_exptl_crystal_density_diffrn    3.039
_cod_original_formula_sum        'Fe P O4'
_cod_database_code               9012512
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,1/3+z
-x,-x+y,1/3-z
-x+y,-x,2/3+z
x-y,-y,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.45500 0.00000 0.33333
P 0.46140 0.00000 0.83333
O1 0.42170 0.31530 0.39700
O2 0.40810 0.26120 0.87590
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012693
