data_global
_chemical_name_mineral 'Liebenbergite'
loop_
_publ_author_name
'Lager G A'
'Meagher E P'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 365
_journal_page_last 377
_publ_section_title
;
 High-temperature structural study of six olivines
 T = 900 deg C, synthetic Ni2SiO4
;
_database_code_amcsd 0000645
_chemical_formula_sum 'Ni2 Si O4'
_cell_length_a 4.775
_cell_length_b 10.216
_cell_length_c 5.971
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 291.274
_exptl_crystal_density_diffrn      4.777
_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
Ni1   0.00000   0.00000   0.00000
Ni2   0.99190   0.27500   0.25000
Si   0.42770   0.09430   0.25000
O1   0.76820   0.09340   0.25000
O2   0.21660   0.44640   0.25000
O3   0.27870   0.16310   0.03330
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 0.01536 0.02062 0.01806 -0.00099 -0.00173 -0.00278
Ni2 0.01871 0.01533 0.02167 0.00025 0.00000 0.00000
Si 0.00878 0.01269 0.01644 0.00000 0.00000 0.00000
O1 0.01213 0.02538 0.02601 -0.00124 0.00000 0.00000
O2 0.02356 0.01163 0.02402 0.00519 0.00000 0.00000
O3 0.02091 0.02538 0.01987 -0.00025 -0.00260 0.00340