The material structure described by MgCo3NiO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with four equivalent Co(3)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners 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  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Co(2), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(2)MgCo2Ni trigonal pyramid,  a cornercorner with one O(6)MgCo2Ni trigonal pyramid,  a cornercorner with one O(7)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(2)MgCo2Ni trigonal pyramid,  an edgeedge with one O(6)MgCo2Ni trigonal pyramid,  an edgeedge with one O(7)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(3), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(1)MgCo2Ni trigonal pyramid,  a cornercorner with one O(6)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid, corners with four equivalent O(7)MgCo2Ni trigonal pyramids,  an edgeedge with one O(1)MgCo2Ni trigonal pyramid,  an edgeedge with one O(6)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), one Co(3), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(1)MgCo2Ni trigonal pyramid,  a cornercorner with one O(2)MgCo2Ni trigonal pyramid,  a cornercorner with one O(7)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(1)MgCo2Ni trigonal pyramid,  an edgeedge with one O(2)MgCo2Ni trigonal pyramid,  an edgeedge with one O(7)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(3), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(1)MgCo2Ni trigonal pyramid,  a cornercorner with one O(6)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid, corners with four equivalent O(2)MgCo2Ni trigonal pyramids,  an edgeedge with one O(1)MgCo2Ni trigonal pyramid,  an edgeedge with one O(6)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_MgCo3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.752
_cell_length_c   5.793
_cell_angle_alpha   73.444
_cell_angle_beta   60.001
_cell_angle_gamma   61.960
_symmetry_Int_Tables_number   1
_cell_volume   144.492
_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  0.752  0.013  0.507  1.0
  Co  Co1  1  0.475  0.016  0.033  1.0
  Co  Co2  1  0.996  0.512  0.005  1.0
  Co  Co3  1  0.491  0.510  0.002  1.0
  Ni  Ni4  1  0.004  0.008  0.982  1.0
  O  O5  1  0.289  0.163  0.800  1.0
  O  O6  1  0.759  0.171  0.799  1.0
  O  O7  1  0.239  0.700  0.801  1.0
  O  O8  1  0.725  0.719  0.818  1.0
  O  O9  1  0.240  0.316  0.209  1.0
  O  O10  1  0.757  0.305  0.194  1.0
  O  O11  1  0.191  0.853  0.213  1.0
  O  O12  1  0.725  0.856  0.211  1.0
[/CIF]
.
The material structure described by MgCo3NiO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MgO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with four equivalent Co(3)O6 octahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners 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  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Co(2), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(2)MgCo2Ni trigonal pyramid,  a cornercorner with one O(6)MgCo2Ni trigonal pyramid,  a cornercorner with one O(7)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(2)MgCo2Ni trigonal pyramid,  an edgeedge with one O(6)MgCo2Ni trigonal pyramid,  an edgeedge with one O(7)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(3), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(1)MgCo2Ni trigonal pyramid,  a cornercorner with one O(6)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid, corners with four equivalent O(7)MgCo2Ni trigonal pyramids,  an edgeedge with one O(1)MgCo2Ni trigonal pyramid,  an edgeedge with one O(6)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), one Co(3), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(1)MgCo2Ni trigonal pyramid,  a cornercorner with one O(2)MgCo2Ni trigonal pyramid,  a cornercorner with one O(7)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid,  an edgeedge with one O(1)MgCo2Ni trigonal pyramid,  an edgeedge with one O(2)MgCo2Ni trigonal pyramid,  an edgeedge with one O(7)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(3), and one Ni(1) atom to form OMgCo2Ni trigonal pyramids that share  a cornercorner with one O(1)MgCo2Ni trigonal pyramid,  a cornercorner with one O(6)MgCo2Ni trigonal pyramid,  a cornercorner with one O(4)MgCo3 trigonal pyramid, corners with four equivalent O(2)MgCo2Ni trigonal pyramids,  an edgeedge with one O(1)MgCo2Ni trigonal pyramid,  an edgeedge with one O(6)MgCo2Ni trigonal pyramid, and  an edgeedge with one O(4)MgCo3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_MgCo3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.752
_cell_length_c   5.793
_cell_angle_alpha   73.444
_cell_angle_beta   60.001
_cell_angle_gamma   61.960
_symmetry_Int_Tables_number   1
_cell_volume   144.492
_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  0.752  0.013  0.507  1.0
  Co  Co1  1  0.475  0.016  0.033  1.0
  Co  Co2  1  0.996  0.512  0.005  1.0
  Co  Co3  1  0.491  0.510  0.002  1.0
  Ni  Ni4  1  0.004  0.008  0.982  1.0
  O  O5  1  0.289  0.163  0.800  1.0
  O  O6  1  0.759  0.171  0.799  1.0
  O  O7  1  0.239  0.700  0.801  1.0
  O  O8  1  0.725  0.719  0.818  1.0
  O  O9  1  0.240  0.316  0.209  1.0
  O  O10  1  0.757  0.305  0.194  1.0
  O  O11  1  0.191  0.853  0.213  1.0
  O  O12  1  0.725  0.856  0.211  1.0
[/CIF]
.