data_global
_chemical_name_mineral '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, 109 min
;
_database_code_amcsd 0001849
_chemical_formula_sum '(Ni Mg) Si O4'
_cell_length_a 4.7322
_cell_length_b 10.1453
_cell_length_c 5.9309
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 284.740
_exptl_crystal_density_diffrn      4.084
_symmetry_space_group_name_H-M 'P b n m'
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   0.76200   0.01600
Mg1   0.00000   0.00000   0.00000   0.23800   0.01600
Ni2   0.98920   0.27620   0.25000   0.23800   0.01600
Mg2   0.98920   0.27620   0.25000   0.76200   0.01600
Si   0.42600   0.09390   0.25000   1.00000   0.01700
O1   0.76870   0.08900   0.25000   1.00000   0.01000
O2   0.22590   0.44500   0.25000   1.00000   0.01000
O3   0.28040   0.16260   0.03260   1.00000   0.01000