The material structure described by MgCo2(NiO2)4 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent Ni(1) and four equivalent O(1) atoms to form distorted MgNi4O4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with four equivalent Mg(1)Ni4O4 tetrahedra. In the second Co site, Co(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. Ni(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), and three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(2) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   6.234
_cell_length_c   6.201
_cell_angle_alpha   60.273
_cell_angle_beta   60.119
_cell_angle_gamma   59.609
_symmetry_Int_Tables_number   1
_cell_volume   170.645
_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  0.375  0.375  0.375  1.0
  Co  Co1  1  0.125  0.125  0.125  1.0
  Co  Co2  1  0.875  0.875  0.875  1.0
  Ni  Ni3  1  0.517  0.943  0.521  1.0
  Ni  Ni4  1  0.520  0.521  0.943  1.0
  Ni  Ni5  1  0.943  0.517  0.520  1.0
  Ni  Ni6  1  0.521  0.520  0.517  1.0
  O  O7  1  0.747  0.252  0.251  1.0
  O  O8  1  0.250  0.251  0.251  1.0
  O  O9  1  0.747  0.260  0.746  1.0
  O  O10  1  0.746  0.746  0.260  1.0
  O  O11  1  0.251  0.250  0.747  1.0
  O  O12  1  0.251  0.747  0.250  1.0
  O  O13  1  0.260  0.747  0.746  1.0
  O  O14  1  0.747  0.746  0.747  1.0
[/CIF]
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The material structure described by MgCo2(NiO2)4 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent Ni(1) and four equivalent O(1) atoms to form distorted MgNi4O4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with four equivalent Mg(1)Ni4O4 tetrahedra. In the second Co site, Co(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. Ni(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), and three equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(2) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   6.234
_cell_length_c   6.201
_cell_angle_alpha   60.273
_cell_angle_beta   60.119
_cell_angle_gamma   59.609
_symmetry_Int_Tables_number   1
_cell_volume   170.645
_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  0.375  0.375  0.375  1.0
  Co  Co1  1  0.125  0.125  0.125  1.0
  Co  Co2  1  0.875  0.875  0.875  1.0
  Ni  Ni3  1  0.517  0.943  0.521  1.0
  Ni  Ni4  1  0.520  0.521  0.943  1.0
  Ni  Ni5  1  0.943  0.517  0.520  1.0
  Ni  Ni6  1  0.521  0.520  0.517  1.0
  O  O7  1  0.747  0.252  0.251  1.0
  O  O8  1  0.250  0.251  0.251  1.0
  O  O9  1  0.747  0.260  0.746  1.0
  O  O10  1  0.746  0.746  0.260  1.0
  O  O11  1  0.251  0.250  0.747  1.0
  O  O12  1  0.251  0.747  0.250  1.0
  O  O13  1  0.260  0.747  0.746  1.0
  O  O14  1  0.747  0.746  0.747  1.0
[/CIF]
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