data_9000734
_chemical_name 'Ni2SiO4'
loop_
_publ_author_name
'Finger L W'
'Hazen R M'
'Yagi T'
_journal_name_full "American Mineralogist"
_journal_volume 64
_journal_year 1979
_journal_page_first 1002
_journal_page_last 1009
_publ_section_title
;
 Crystal structures and electron densities of nickel and iron silicate spinels a
 elevated temperature or pressure
 P = 38.2 kbar, T = 23 C
;
_chemical_formula_sum 'Ni2 Si O4'
_cell_length_a 8.0014
_cell_length_b 8.0014
_cell_length_c 8.0014
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 512.269
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,1/2-x,1/4+y'
  '3/4+z,-x,3/4+y'
  '1/4+z,1/2-x,3/4+y'
  '1/4+z,-x,1/4+y'
  '3/4-y,1/2+z,1/4-x'
  '3/4-y,+z,3/4-x'
  '1/4-y,1/2+z,3/4-x'
  '1/4-y,+z,1/4-x'
  '3/4+x,1/2-y,1/4+z'
  '3/4+x,-y,3/4+z'
  '1/4+x,1/2-y,3/4+z'
  '1/4+x,-y,1/4+z'
  '3/4-z,1/2+x,1/4-y'
  '3/4-z,+x,3/4-y'
  '1/4-z,1/2+x,3/4-y'
  '1/4-z,+x,1/4-y'
  '3/4+y,1/2-z,1/4+x'
  '3/4+y,-z,3/4+x'
  '1/4+y,1/2-z,3/4+x'
  '1/4+y,-z,1/4+x'
  '3/4-x,1/2+y,1/4-z'
  '3/4-x,+y,3/4-z'
  '1/4-x,1/2+y,3/4-z'
  '1/4-x,+y,1/4-z'
  '1/2+x,3/4-z,1/4-y'
  '1/2+x,1/4-z,3/4-y'
  '+x,3/4-z,3/4-y'
  '+x,1/4-z,1/4-y'
  '1/2-z,3/4+y,1/4+x'
  '1/2-z,1/4+y,3/4+x'
  '-z,3/4+y,3/4+x'
  '-z,1/4+y,1/4+x'
  '1/2+y,3/4-x,1/4-z'
  '1/2+y,1/4-x,3/4-z'
  '+y,3/4-x,3/4-z'
  '+y,1/4-x,1/4-z'
  '1/2-x,3/4+z,1/4+y'
  '1/2-x,1/4+z,3/4+y'
  '-x,3/4+z,3/4+y'
  '-x,1/4+z,1/4+y'
  '1/2+z,3/4-y,1/4-x'
  '1/2+z,1/4-y,3/4-x'
  '+z,3/4-y,3/4-x'
  '+z,1/4-y,1/4-x'
  '1/2-y,3/4+x,1/4+z'
  '1/2-y,1/4+x,3/4+z'
  '-y,3/4+x,3/4+z'
  '-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '-z,1/2-y,1/2-x'
  '-z,-y,-x'
  '1/2-z,1/2-y,-x'
  '1/2-z,-y,1/2-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '-x,1/2-z,1/2-y'
  '-x,-z,-y'
  '1/2-x,1/2-z,-y'
  '1/2-x,-z,1/2-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '-y,1/2-x,1/2-z'
  '-y,-x,-z'
  '1/2-y,1/2-x,-z'
  '1/2-y,-x,1/2-z'
  '3/4+z,1/4+x,1/2-y'
  '3/4+z,3/4+x,-y'
  '1/4+z,1/4+x,-y'
  '1/4+z,3/4+x,1/2-y'
  '3/4-y,1/4-z,1/2+x'
  '3/4-y,3/4-z,+x'
  '1/4-y,1/4-z,+x'
  '1/4-y,3/4-z,1/2+x'
  '3/4+x,1/4+y,1/2-z'
  '3/4+x,3/4+y,-z'
  '1/4+x,1/4+y,-z'
  '1/4+x,3/4+y,1/2-z'
  '3/4-z,1/4-x,1/2+y'
  '3/4-z,3/4-x,+y'
  '1/4-z,1/4-x,+y'
  '1/4-z,3/4-x,1/2+y'
  '3/4+y,1/4+z,1/2-x'
  '3/4+y,3/4+z,-x'
  '1/4+y,1/4+z,-x'
  '1/4+y,3/4+z,1/2-x'
  '3/4-x,1/4-y,1/2+z'
  '3/4-x,3/4-y,+z'
  '1/4-x,1/4-y,+z'
  '1/4-x,3/4-y,1/2+z'
  '-z,3/4+x,3/4+y'
  '-z,1/4+x,1/4+y'
  '1/2-z,3/4+x,1/4+y'
  '1/2-z,1/4+x,3/4+y'
  'y,3/4-z,3/4-x'
  'y,1/4-z,1/4-x'
  '1/2+y,3/4-z,1/4-x'
  '1/2+y,1/4-z,3/4-x'
  '-x,3/4+y,3/4+z'
  '-x,1/4+y,1/4+z'
  '1/2-x,3/4+y,1/4+z'
  '1/2-x,1/4+y,3/4+z'
  'z,3/4-x,3/4-y'
  'z,1/4-x,1/4-y'
  '1/2+z,3/4-x,1/4-y'
  '1/2+z,1/4-x,3/4-y'
  '-y,3/4+z,3/4+x'
  '-y,1/4+z,1/4+x'
  '1/2-y,3/4+z,1/4+x'
  '1/2-y,1/4+z,3/4+x'
  'x,3/4-y,3/4-z'
  'x,1/4-y,1/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/2+x,1/4-y,3/4-z'
  '1/4-x,1/2+z,3/4-y'
  '1/4-x,+z,1/4-y'
  '3/4-x,1/2+z,1/4-y'
  '3/4-x,+z,3/4-y'
  '1/4+z,1/2-y,3/4+x'
  '1/4+z,-y,1/4+x'
  '3/4+z,1/2-y,1/4+x'
  '3/4+z,-y,3/4+x'
  '1/4-y,1/2+x,3/4-z'
  '1/4-y,+x,1/4-z'
  '3/4-y,1/2+x,1/4-z'
  '3/4-y,+x,3/4-z'
  '1/4+x,1/2-z,3/4+y'
  '1/4+x,-z,1/4+y'
  '3/4+x,1/2-z,1/4+y'
  '3/4+x,-z,3/4+y'
  '1/4-z,1/2+y,3/4-x'
  '1/4-z,+y,1/4-x'
  '3/4-z,1/2+y,1/4-x'
  '3/4-z,+y,3/4-x'
  '1/4+y,1/2-x,3/4+z'
  '1/4+y,-x,1/4+z'
  '3/4+y,1/2-x,1/4+z'
  '3/4+y,-x,3/4+z'
  '3/4-x,3/4-z,y'
  '3/4-x,1/4-z,1/2+y'
  '1/4-x,3/4-z,1/2+y'
  '1/4-x,1/4-z,y'
  '3/4+z,3/4+y,-x'
  '3/4+z,1/4+y,1/2-x'
  '1/4+z,3/4+y,1/2-x'
  '1/4+z,1/4+y,-x'
  '3/4-y,3/4-x,z'
  '3/4-y,1/4-x,1/2+z'
  '1/4-y,3/4-x,1/2+z'
  '1/4-y,1/4-x,z'
  '3/4+x,3/4+z,-y'
  '3/4+x,1/4+z,1/2-y'
  '1/4+x,3/4+z,1/2-y'
  '1/4+x,1/4+z,-y'
  '3/4-z,3/4-y,x'
  '3/4-z,1/4-y,1/2+x'
  '1/4-z,3/4-y,1/2+x'
  '1/4-z,1/4-y,x'
  '3/4+y,3/4+x,-z'
  '3/4+y,1/4+x,1/2-z'
  '1/4+y,3/4+x,1/2-z'
  '1/4+y,1/4+x,-z'
  '-z,-x,-y'
  '-z,1/2-x,1/2-y'
  '1/2-z,-x,1/2-y'
  '1/2-z,1/2-x,-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '-y,-z,-x'
  '-y,1/2-z,1/2-x'
  '1/2-y,-z,1/2-x'
  '1/2-y,1/2-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ni   0.50000   0.50000   0.50000   0.00646
Si   0.12500   0.12500   0.12500   0.00671
O   0.24500   0.24500   0.24500   0.00988