The crystal structure described by LiNi(AsO4) is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ni(1), and one As(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.753
_cell_length_b   5.831
_cell_length_c   5.831
_cell_angle_alpha   61.460
_cell_angle_beta   60.440
_cell_angle_gamma   60.440
_symmetry_Int_Tables_number   1
_cell_volume   140.737
_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
  As  As0  1  0.869  0.381  0.881  1.0
  As  As1  1  0.131  0.619  0.119  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  1.000  0.000  0.500  1.0
  Ni  Ni4  1  0.500  1.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.751  0.254  0.754  1.0
  O  O7  1  0.241  0.254  0.754  1.0
  O  O8  1  0.249  0.746  0.246  1.0
  O  O9  1  0.759  0.746  0.246  1.0
  O  O10  1  0.753  0.256  0.238  1.0
  O  O11  1  0.753  0.738  0.756  1.0
  O  O12  1  0.247  0.744  0.762  1.0
  O  O13  1  0.247  0.262  0.244  1.0
[/CIF]
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The crystal structure described by LiNi(AsO4) is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ni(1), and one As(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.753
_cell_length_b   5.831
_cell_length_c   5.831
_cell_angle_alpha   61.460
_cell_angle_beta   60.440
_cell_angle_gamma   60.440
_symmetry_Int_Tables_number   1
_cell_volume   140.737
_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
  As  As0  1  0.869  0.381  0.881  1.0
  As  As1  1  0.131  0.619  0.119  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  1.000  0.000  0.500  1.0
  Ni  Ni4  1  0.500  1.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.751  0.254  0.754  1.0
  O  O7  1  0.241  0.254  0.754  1.0
  O  O8  1  0.249  0.746  0.246  1.0
  O  O9  1  0.759  0.746  0.246  1.0
  O  O10  1  0.753  0.256  0.238  1.0
  O  O11  1  0.753  0.738  0.756  1.0
  O  O12  1  0.247  0.744  0.762  1.0
  O  O13  1  0.247  0.262  0.244  1.0
[/CIF]
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