The compound described by Ni5O4 crystallizes in the cubic P-43m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to six equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to one Ni(2) and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Ni5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.560
_cell_length_b   4.560
_cell_length_c   4.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.789
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.717  0.717  0.717  1.0
  Ni  Ni1  1  0.283  0.283  0.717  1.0
  Ni  Ni2  1  0.283  0.717  0.283  1.0
  Ni  Ni3  1  0.717  0.283  0.283  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.272  0.272  0.272  1.0
  O  O6  1  0.728  0.728  0.272  1.0
  O  O7  1  0.728  0.272  0.728  1.0
  O  O8  1  0.272  0.728  0.728  1.0
[/CIF]
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The compound described by Ni5O4 crystallizes in the cubic P-43m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to six equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to one Ni(2) and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Ni5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.560
_cell_length_b   4.560
_cell_length_c   4.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.789
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.717  0.717  0.717  1.0
  Ni  Ni1  1  0.283  0.283  0.717  1.0
  Ni  Ni2  1  0.283  0.717  0.283  1.0
  Ni  Ni3  1  0.717  0.283  0.283  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.272  0.272  0.272  1.0
  O  O6  1  0.728  0.728  0.272  1.0
  O  O7  1  0.728  0.272  0.728  1.0
  O  O8  1  0.272  0.728  0.728  1.0
[/CIF]
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