The material structure described by MgCo(NiO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are three inequivalent Ni sites. In the first Ni site, 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 Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OMgCoNi3 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ni(2), one Ni(3), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.285
_cell_length_b   10.285
_cell_length_c   14.557
_cell_angle_alpha   18.961
_cell_angle_beta   18.961
_cell_angle_gamma   32.839
_symmetry_Int_Tables_number   1
_cell_volume   139.480
_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  0.500  0.500  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.006  0.528  0.719  1.0
  O  O7  1  0.994  0.472  0.281  1.0
  O  O8  1  0.001  0.001  0.260  1.0
  O  O9  1  0.999  0.999  0.740  1.0
  O  O10  1  0.456  0.456  0.793  1.0
  O  O11  1  0.544  0.544  0.207  1.0
  O  O12  1  0.528  0.006  0.719  1.0
  O  O13  1  0.472  0.994  0.281  1.0
[/CIF]
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The material structure described by MgCo(NiO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are three inequivalent Ni sites. In the first Ni site, 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 Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OMgCoNi3 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ni(2), one Ni(3), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.285
_cell_length_b   10.285
_cell_length_c   14.557
_cell_angle_alpha   18.961
_cell_angle_beta   18.961
_cell_angle_gamma   32.839
_symmetry_Int_Tables_number   1
_cell_volume   139.480
_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  0.500  0.500  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.006  0.528  0.719  1.0
  O  O7  1  0.994  0.472  0.281  1.0
  O  O8  1  0.001  0.001  0.260  1.0
  O  O9  1  0.999  0.999  0.740  1.0
  O  O10  1  0.456  0.456  0.793  1.0
  O  O11  1  0.544  0.544  0.207  1.0
  O  O12  1  0.528  0.006  0.719  1.0
  O  O13  1  0.472  0.994  0.281  1.0
[/CIF]
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