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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011823.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_9011823
loop_
_publ_author_name
'Skala, R.'
'Drabek, M.'
_publ_section_title
;
 Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
 refinement of synthetic analogue
 Locality: synthetic
 Sample: P-33/3
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              783
_journal_page_last               792
_journal_volume                  67
_journal_year                    2003
_chemical_formula_sum            'Ni3 P'
_chemical_name_mineral           Nickelphosphide
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.9499
_cell_length_b                   8.9499
_cell_length_c                   4.3850
_cell_volume                     351.242
_exptl_crystal_density_diffrn    7.831
_cod_database_code               9011823
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
NiMe1 0.07830 0.11320 0.24800 0.00760
NiMe2 0.36510 0.03100 0.97200 0.00127
NiMe3 0.16770 0.22010 0.75000 0.00887
P 0.28690 0.04580 0.48000 0.02026
_journal_paper_doi 10.1180/0026461036740134