The crystal structure described by MgCo2(VO4)2 is Esseneite-like structured and crystallizes in the orthorhombic Imm2 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 four equivalent Co(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one V(2)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-65°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded to one Mg(1), one V(2), and two equivalent Co(1) atoms to form distorted edge-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Co(1) atom. is represented by the CIF file [CIF]
data_MgV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.878
_cell_length_c   5.878
_cell_angle_alpha   57.694
_cell_angle_beta   83.189
_cell_angle_gamma   110.302
_symmetry_Int_Tables_number   1
_cell_volume   148.674
_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  0.515  0.750  0.235  1.0
  V  V1  1  0.160  0.250  0.090  1.0
  V  V2  1  0.875  0.750  0.875  1.0
  Co  Co3  1  0.513  0.019  0.506  1.0
  Co  Co4  1  0.974  0.481  0.506  1.0
  O  O5  1  0.818  0.050  0.232  1.0
  O  O6  1  0.726  0.502  0.271  1.0
  O  O7  1  0.283  0.985  0.232  1.0
  O  O8  1  0.219  0.450  0.232  1.0
  O  O9  1  0.787  0.542  0.755  1.0
  O  O10  1  0.726  0.998  0.776  1.0
  O  O11  1  0.283  0.515  0.701  1.0
  O  O12  1  0.203  0.958  0.755  1.0
[/CIF]
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The crystal structure described by MgCo2(VO4)2 is Esseneite-like structured and crystallizes in the orthorhombic Imm2 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 four equivalent Co(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one V(2)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-65°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded to one Mg(1), one V(2), and two equivalent Co(1) atoms to form distorted edge-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Co(1) atom. is represented by the CIF file [CIF]
data_MgV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.878
_cell_length_c   5.878
_cell_angle_alpha   57.694
_cell_angle_beta   83.189
_cell_angle_gamma   110.302
_symmetry_Int_Tables_number   1
_cell_volume   148.674
_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  0.515  0.750  0.235  1.0
  V  V1  1  0.160  0.250  0.090  1.0
  V  V2  1  0.875  0.750  0.875  1.0
  Co  Co3  1  0.513  0.019  0.506  1.0
  Co  Co4  1  0.974  0.481  0.506  1.0
  O  O5  1  0.818  0.050  0.232  1.0
  O  O6  1  0.726  0.502  0.271  1.0
  O  O7  1  0.283  0.985  0.232  1.0
  O  O8  1  0.219  0.450  0.232  1.0
  O  O9  1  0.787  0.542  0.755  1.0
  O  O10  1  0.726  0.998  0.776  1.0
  O  O11  1  0.283  0.515  0.701  1.0
  O  O12  1  0.203  0.958  0.755  1.0
[/CIF]
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