data_global
_chemical_name_mineral 'Liebenbergite'
loop_
_publ_author_name
'Rajamani V'
'Brown G E'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 292
_journal_page_last 299
_publ_section_title
;
 Cation ordering in Ni-Mg olivine
;
_database_code_amcsd 455
_chemical_formula_sum 'Si (Ni1.03 Mg.97) O4'
_cell_length_a 4.7366
_cell_length_b 10.1716
_cell_length_c 5.9374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 286.057
_exptl_crystal_density_diffrn  4.089
_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
Si   0.426  0.0937  0.25  1.0  0.0038
Ni1   0.0  0.0  0.0  0.767  0.00329
Mg1   0.0  0.0  0.0  0.233  0.00329
Ni2   0.9907  0.275  0.25  0.263  0.00342
Mg2   0.9907  0.275  0.25  0.737  0.00342
O1   0.7672  0.0931  0.25  1.0  0.00557
O2   0.2193  0.4451  0.25  1.0  0.00532
O3   0.2755  0.1625  0.0316  1.0  0.0057