#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008194.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_9008194
loop_
_publ_author_name
'Doenitz, F. D.'
_publ_section_title
;
 Die kristallstruktur des meteoritischen rhabdits (Fe,Ni)3P
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              222
_journal_page_last               236
_journal_paper_doi               10.1524/zkri.1970.131.1-6.222
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        'meteorite of Buei Muerto, Tocopilla, Chile'
_chemical_formula_sum            'Fe2 Ni P'
_chemical_name_mineral           Schreibersite
_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                   9.040
_cell_length_b                   9.040
_cell_length_c                   4.462
_cell_formula_units_Z            8
_cell_volume                     364.642
_database_code_amcsd             0010710
_exptl_crystal_density_diffrn    7.336
_cod_database_code               9008194
loop_
_space_group_symop_operation_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_occupancy
_atom_site_U_iso_or_equiv
Fe1 0.07850 0.10810 0.23500 1.00000 0.00507
Fe2 0.36170 0.03240 0.98200 0.66700 0.00507
Ni2 0.36170 0.03240 0.98200 0.33300 0.00507
Fe3 0.16980 0.21990 0.75250 0.33300 0.00507
Ni3 0.16980 0.21990 0.75250 0.66700 0.00507
P 0.29160 0.04810 0.48600 1.00000 0.00507
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010710
