#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001102.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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'
_[local]_cod_chemical_formula_sum_orig 'Ni2 Si O4'
_chemical_name_mineral           Olivine
_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_volume                     283.138
loop_
_symmetry_equiv_pos_as_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
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_
_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
_cod_database_code 9001102