data_global
_chemical_name_mineral 'Liebenbergite'
loop_
_publ_author_name
'Ottonello G'
'Della Giusta A'
'Molin G M'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 411
_journal_page_last 421
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.51, heated to 1150 C, then quenched
 MgNiSiO4
;
_database_code_amcsd 0001222
_chemical_formula_sum '(Mg.97 Ni1.03) Si O4'
_cell_length_a 4.7431
_cell_length_b 10.1765
_cell_length_c 5.9401
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 286.718
_exptl_crystal_density_diffrn      4.080
_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
Mg1   0.00000   0.00000   0.00000   0.29000   0.00646
Ni1   0.00000   0.00000   0.00000   0.71000   0.00646
Ni2   0.99130   0.27510   0.25000   0.32000   0.00659
Mg2   0.99130   0.27510   0.25000   0.68000   0.00659
Si   0.42650   0.09360   0.25000   1.00000   0.00595
O1   0.76850   0.09290   0.25000   1.00000   0.00646
O2   0.22000   0.44620   0.25000   1.00000   0.00709
O3   0.27450   0.16260   0.03260   1.00000   0.00798