The material structure described by Ni2AlO4 crystallizes in the tetragonal I4_1/a space group. Ni(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Al(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_Al(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.042
_cell_length_b   6.042
_cell_length_c   6.042
_cell_angle_alpha   129.893
_cell_angle_beta   129.893
_cell_angle_gamma   73.578
_symmetry_Int_Tables_number   1
_cell_volume   126.704
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Ni  Ni2  1  0.375  0.125  0.750  1.0
  Ni  Ni3  1  0.375  0.625  0.250  1.0
  Ni  Ni4  1  0.875  0.625  0.250  1.0
  Ni  Ni5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.149  0.651  0.873  1.0
  O  O7  1  0.778  0.276  0.127  1.0
  O  O8  1  0.601  0.599  0.627  1.0
  O  O9  1  0.972  0.974  0.373  1.0
  O  O10  1  0.401  0.028  0.002  1.0
  O  O11  1  0.026  0.399  0.998  1.0
  O  O12  1  0.724  0.851  0.502  1.0
  O  O13  1  0.349  0.222  0.498  1.0
[/CIF]
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The material structure described by Ni2AlO4 crystallizes in the tetragonal I4_1/a space group. Ni(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Al(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_Al(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.042
_cell_length_b   6.042
_cell_length_c   6.042
_cell_angle_alpha   129.893
_cell_angle_beta   129.893
_cell_angle_gamma   73.578
_symmetry_Int_Tables_number   1
_cell_volume   126.704
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Ni  Ni2  1  0.375  0.125  0.750  1.0
  Ni  Ni3  1  0.375  0.625  0.250  1.0
  Ni  Ni4  1  0.875  0.625  0.250  1.0
  Ni  Ni5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.149  0.651  0.873  1.0
  O  O7  1  0.778  0.276  0.127  1.0
  O  O8  1  0.601  0.599  0.627  1.0
  O  O9  1  0.972  0.974  0.373  1.0
  O  O10  1  0.401  0.028  0.002  1.0
  O  O11  1  0.026  0.399  0.998  1.0
  O  O12  1  0.724  0.851  0.502  1.0
  O  O13  1  0.349  0.222  0.498  1.0
[/CIF]
.