#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/11/9001102.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_9001102
loop_
_publ_author_name
'Bostrom, D.'
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = 1.00
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Ni2 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                   4.7296
_cell_length_b                   10.1209
_cell_length_c                   5.9150
_cell_formula_units_Z            4
_cell_volume                     283.138
_database_code_amcsd             0001124
_exptl_crystal_density_diffrn    4.914
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9001102
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_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
Ni1 0.03468 0.05345 0.06363 -0.00267 -0.00595 -0.00667
Ni2 0.04227 0.03944 0.06629 0.00194 0.00000 0.00000
Si 0.01972 0.04463 0.06310 0.00146 0.00000 0.00000
O1 0.03048 0.06539 0.07498 0.00776 0.00000 0.00000
O2 0.04136 0.04515 0.08047 0.00073 0.00000 0.00000
O3 0.04454 0.07369 0.07728 0.00461 -0.00368 0.01638
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni1 0.00000 0.00000 0.00000
Ni2 0.99260 0.27380 0.25000
Si 0.42730 0.09430 0.25000
O1 0.76890 0.09360 0.25000
O2 0.21790 0.44510 0.25000
O3 0.27370 0.16290 0.03030
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001124
