The material structure described by Ni2SiO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. O(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ni(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_Si(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   5.677
_cell_length_c   5.677
_cell_angle_alpha   59.998
_cell_angle_beta   59.997
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   129.351
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Si  Si0  1  0.125  0.125  0.125  1.0
  Si  Si1  1  0.875  0.875  0.875  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  1.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.756  0.756  0.756  1.0
  O  O7  1  0.244  0.244  0.768  1.0
  O  O8  1  0.244  0.768  0.244  1.0
  O  O9  1  0.768  0.244  0.244  1.0
  O  O10  1  0.756  0.232  0.756  1.0
  O  O11  1  0.232  0.756  0.756  1.0
  O  O12  1  0.244  0.244  0.244  1.0
  O  O13  1  0.756  0.756  0.232  1.0
[/CIF]
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The material structure described by Ni2SiO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. O(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ni(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_Si(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   5.677
_cell_length_c   5.677
_cell_angle_alpha   59.998
_cell_angle_beta   59.997
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   129.351
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Si  Si0  1  0.125  0.125  0.125  1.0
  Si  Si1  1  0.875  0.875  0.875  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  1.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.756  0.756  0.756  1.0
  O  O7  1  0.244  0.244  0.768  1.0
  O  O8  1  0.244  0.768  0.244  1.0
  O  O9  1  0.768  0.244  0.244  1.0
  O  O10  1  0.756  0.232  0.756  1.0
  O  O11  1  0.232  0.756  0.756  1.0
  O  O12  1  0.244  0.244  0.244  1.0
  O  O13  1  0.756  0.756  0.232  1.0
[/CIF]
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