#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/21/9012123.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_9012123
loop_
_publ_author_name
'Carlsson, B.'
'Golin, M.'
'Rundqvist, S.'
_publ_section_title
;Determination of the homogenity range and refinement of the crystal structure
 of Fe2P Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              57
_journal_page_last               67
_journal_paper_doi               10.1016/0022-4596(73)90021-2
_journal_volume                  8
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 P'
_chemical_name_mineral           Barringerite
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.8675
_cell_length_b                   5.8675
_cell_length_c                   3.4581
_cell_formula_units_Z            3
_cell_volume                     103.104
_database_code_amcsd             0013329
_exptl_crystal_density_diffrn    6.893
_cod_database_code               9012123
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,z
-x+y,-x,-z
y,x,-z
-y,x-y,z
x-y,-y,z
x,y,-z
-x,-x+y,-z
-x+y,-x,z
y,x,z
-y,x-y,-z
x-y,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe1 0.00445 0.00484 0.00818 0.00242 0.00000 0.00000
Fe2 0.00719 0.00994 0.00763 0.00497 0.00000 0.00000
P1 0.00497 0.00497 0.00769 0.00249 0.00000 0.00000
P2 0.00654 0.00654 0.00563 0.00327 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.25683 0.00000 0.00000
Fe2 0.59461 0.00000 0.50000
P1 0.33333 0.66667 0.00000
P2 0.00000 0.00000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013329
