#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001792.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_9001792
_chemical_name 'Liebenbergite'
loop_
_publ_author_name
'Chen J'
'Li R'
'Parise J B'
'Weidner D J'
_journal_name_full "American Mineralogist"
_journal_volume 81
_journal_year 1996
_journal_page_first 1519
_journal_page_last 1522
_publ_section_title
;
 Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
 Sample: 4 GPa and 800 C, 63 min
;
_chemical_formula_sum '(Ni Mg) Si O4'
_cell_length_a 4.7330
_cell_length_b 10.1452
_cell_length_c 5.9303
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 284.757
_symmetry_space_group_name_H-M 'P b n m'
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
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ni1   0.00000   0.00000   0.00000   0.75700   0.01700
Mg1   0.00000   0.00000   0.00000   0.24300   0.01700
Ni2   0.98790   0.27570   0.25000   0.24300   0.01700
Mg2   0.98790   0.27570   0.25000   0.75700   0.01700
Si   0.42690   0.09450   0.25000   1.00000   0.01300
O1   0.77220   0.08850   0.25000   1.00000   0.00400
O2   0.22350   0.44420   0.25000   1.00000   0.00400
O3   0.27960   0.16360   0.03430   1.00000   0.00400