#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000867.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_9000867
loop_
_publ_author_name
'Nord, A. G.'
'Annersten, H.'
'Filippidis, A.'
_publ_section_title
;
 The cation distribution in synthetic Mg-Fe-Ni olivines
 sample H4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1206
_journal_page_last               1211
_journal_volume                  67
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.08 Mg1.02 Ni0.9 O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.747
_cell_length_b                   10.193
_cell_length_c                   5.951
_cell_formula_units_Z            4
_cell_volume                     287.946
_database_code_amcsd             0000886
_exptl_crystal_density_diffrn    4.017
_cod_original_formula_sum        '(Ni.9 Mg1.02 Fe.08) Si O4'
_cod_database_code               9000867
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-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
Ni1 0.00000 0.00000 0.00000 0.68000 0.01140
Mg1 0.00000 0.00000 0.00000 0.30000 0.01140
Fe1 0.00000 0.00000 0.00000 0.02000 0.01140
Mg2 0.98600 0.27700 0.25000 0.72000 0.01140
Fe2 0.98600 0.27700 0.25000 0.06000 0.01140
Ni2 0.98600 0.27700 0.25000 0.22000 0.01140
Si 0.42600 0.09600 0.25000 1.00000 -0.00380
O1 0.77900 0.10100 0.25000 1.00000 -0.00380
O2 0.20700 0.45800 0.25000 1.00000 -0.00380
O3 0.26500 0.16700 0.03500 1.00000 -0.00380
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000886
