The material described by LiNiSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiSiNi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSiNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.742
_cell_length_b   5.742
_cell_length_c   5.742
_cell_angle_alpha   56.245
_cell_angle_beta   93.623
_cell_angle_gamma   120.499
_symmetry_Int_Tables_number   1
_cell_volume   129.128
_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
  Li  Li0  1  0.998  1.000  0.002  1.0
  Li  Li1  1  0.252  0.500  0.248  1.0
  Si  Si2  1  0.625  0.250  0.125  1.0
  Si  Si3  1  0.625  0.750  0.625  1.0
  Ni  Ni4  1  0.625  0.250  0.625  1.0
  Ni  Ni5  1  0.125  0.750  0.625  1.0
  O  O6  1  0.837  0.211  0.374  1.0
  O  O7  1  0.407  0.233  0.360  1.0
  O  O8  1  0.843  0.733  0.424  1.0
  O  O9  1  0.843  0.267  0.890  1.0
  O  O10  1  0.413  0.289  0.876  1.0
  O  O11  1  0.835  0.711  0.876  1.0
  O  O12  1  0.415  0.789  0.374  1.0
  O  O13  1  0.407  0.767  0.826  1.0
[/CIF]
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The material described by LiNiSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiSiNi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSiNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.742
_cell_length_b   5.742
_cell_length_c   5.742
_cell_angle_alpha   56.245
_cell_angle_beta   93.623
_cell_angle_gamma   120.499
_symmetry_Int_Tables_number   1
_cell_volume   129.128
_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
  Li  Li0  1  0.998  1.000  0.002  1.0
  Li  Li1  1  0.252  0.500  0.248  1.0
  Si  Si2  1  0.625  0.250  0.125  1.0
  Si  Si3  1  0.625  0.750  0.625  1.0
  Ni  Ni4  1  0.625  0.250  0.625  1.0
  Ni  Ni5  1  0.125  0.750  0.625  1.0
  O  O6  1  0.837  0.211  0.374  1.0
  O  O7  1  0.407  0.233  0.360  1.0
  O  O8  1  0.843  0.733  0.424  1.0
  O  O9  1  0.843  0.267  0.890  1.0
  O  O10  1  0.413  0.289  0.876  1.0
  O  O11  1  0.835  0.711  0.876  1.0
  O  O12  1  0.415  0.789  0.374  1.0
  O  O13  1  0.407  0.767  0.826  1.0
[/CIF]
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