The material described by Ni2AlO4 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 Al(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_Al(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   5.721
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   132.427
_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
  Al  Al0  1  0.750  0.750  0.750  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.125  0.625  0.125  1.0
  Ni  Ni3  1  0.125  0.125  0.625  1.0
  Ni  Ni4  1  0.625  0.125  0.125  1.0
  Ni  Ni5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.366  0.878  0.878  1.0
  O  O7  1  0.878  0.878  0.878  1.0
  O  O8  1  0.372  0.884  0.372  1.0
  O  O9  1  0.372  0.372  0.884  1.0
  O  O10  1  0.878  0.878  0.366  1.0
  O  O11  1  0.878  0.366  0.878  1.0
  O  O12  1  0.884  0.372  0.372  1.0
  O  O13  1  0.372  0.372  0.372  1.0
[/CIF]
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The material described by Ni2AlO4 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 Al(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_Al(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   5.721
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   132.427
_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
  Al  Al0  1  0.750  0.750  0.750  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.125  0.625  0.125  1.0
  Ni  Ni3  1  0.125  0.125  0.625  1.0
  Ni  Ni4  1  0.625  0.125  0.125  1.0
  Ni  Ni5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.366  0.878  0.878  1.0
  O  O7  1  0.878  0.878  0.878  1.0
  O  O8  1  0.372  0.884  0.372  1.0
  O  O9  1  0.372  0.372  0.884  1.0
  O  O10  1  0.878  0.878  0.366  1.0
  O  O11  1  0.878  0.366  0.878  1.0
  O  O12  1  0.884  0.372  0.372  1.0
  O  O13  1  0.372  0.372  0.372  1.0
[/CIF]
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