The material structure described by MgCo4NiO8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 7-16°. 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 Mg(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 6-12°. 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 Mg(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 6-12°. 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 Mg(1)O6 octahedra, 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 Mg(1)O6 octahedra, 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 corners with six equivalent Mg(1)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 7-16°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Ni(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(2), one Co(4), and one Ni(1) atom to form a mixture of edge and corner-sharing OMgCo3Ni square pyramids. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Ni(1) atom to form a mixture of edge and corner-sharing OMgCo3Ni square pyramids. 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_MgCo4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.846
_cell_length_b   5.889
_cell_length_c   5.763
_cell_angle_alpha   91.293
_cell_angle_beta   62.249
_cell_angle_gamma   59.395
_symmetry_Int_Tables_number   1
_cell_volume   142.077
_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
  Mg  Mg0  1  0.500  0.000  0.500  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.449  0.254  0.799  1.0
  O  O7  1  0.002  0.273  0.754  1.0
  O  O8  1  0.506  0.764  0.761  1.0
  O  O9  1  0.961  0.749  0.784  1.0
  O  O10  1  0.039  0.251  0.216  1.0
  O  O11  1  0.494  0.236  0.239  1.0
  O  O12  1  0.998  0.727  0.246  1.0
  O  O13  1  0.551  0.746  0.201  1.0
[/CIF]
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The material structure described by MgCo4NiO8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 7-16°. 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 Mg(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 6-12°. 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 Mg(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 6-12°. 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 Mg(1)O6 octahedra, 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 Mg(1)O6 octahedra, 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 corners with six equivalent Mg(1)O6 octahedra, 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. The corner-sharing octahedral tilt angles range from 7-16°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Ni(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(2), one Co(4), and one Ni(1) atom to form a mixture of edge and corner-sharing OMgCo3Ni square pyramids. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Ni(1) atom to form a mixture of edge and corner-sharing OMgCo3Ni square pyramids. 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_MgCo4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.846
_cell_length_b   5.889
_cell_length_c   5.763
_cell_angle_alpha   91.293
_cell_angle_beta   62.249
_cell_angle_gamma   59.395
_symmetry_Int_Tables_number   1
_cell_volume   142.077
_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
  Mg  Mg0  1  0.500  0.000  0.500  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.449  0.254  0.799  1.0
  O  O7  1  0.002  0.273  0.754  1.0
  O  O8  1  0.506  0.764  0.761  1.0
  O  O9  1  0.961  0.749  0.784  1.0
  O  O10  1  0.039  0.251  0.216  1.0
  O  O11  1  0.494  0.236  0.239  1.0
  O  O12  1  0.998  0.727  0.246  1.0
  O  O13  1  0.551  0.746  0.201  1.0
[/CIF]
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