The compound described by Co4NiO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(3), one Co(4), and one Ni(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Co4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.641
_cell_length_b   5.629
_cell_length_c   5.808
_cell_angle_alpha   89.878
_cell_angle_beta   62.510
_cell_angle_gamma   59.834
_symmetry_Int_Tables_number   1
_cell_volume   134.953
_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
  Co  Co0  1  0.000  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.461  0.269  0.807  1.0
  O  O6  1  0.954  0.280  0.796  1.0
  O  O7  1  0.473  0.762  0.797  1.0
  O  O8  1  0.955  0.768  0.796  1.0
  O  O9  1  0.045  0.232  0.204  1.0
  O  O10  1  0.527  0.238  0.203  1.0
  O  O11  1  0.046  0.720  0.204  1.0
  O  O12  1  0.539  0.731  0.193  1.0
[/CIF]
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The compound described by Co4NiO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(3), one Co(4), and one Ni(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Co4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.641
_cell_length_b   5.629
_cell_length_c   5.808
_cell_angle_alpha   89.878
_cell_angle_beta   62.510
_cell_angle_gamma   59.834
_symmetry_Int_Tables_number   1
_cell_volume   134.953
_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
  Co  Co0  1  0.000  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.461  0.269  0.807  1.0
  O  O6  1  0.954  0.280  0.796  1.0
  O  O7  1  0.473  0.762  0.797  1.0
  O  O8  1  0.955  0.768  0.796  1.0
  O  O9  1  0.045  0.232  0.204  1.0
  O  O10  1  0.527  0.238  0.203  1.0
  O  O11  1  0.046  0.720  0.204  1.0
  O  O12  1  0.539  0.731  0.193  1.0
[/CIF]
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