The structure described by MgCo2(VO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Co(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded to one Mg(1), one V(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and face-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.697
_cell_length_b   5.697
_cell_length_c   6.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.437
_symmetry_Int_Tables_number   1
_cell_volume   170.690
_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  0.150  0.150  0.250  1.0
  V  V1  1  0.413  0.413  0.250  1.0
  V  V2  1  0.620  0.620  0.750  1.0
  Co  Co3  1  0.928  0.928  0.955  1.0
  Co  Co4  1  0.928  0.928  0.545  1.0
  O  O5  1  0.303  0.303  0.038  1.0
  O  O6  1  0.303  0.303  0.462  1.0
  O  O7  1  0.214  0.779  0.250  1.0
  O  O8  1  0.252  0.776  0.750  1.0
  O  O9  1  0.779  0.214  0.250  1.0
  O  O10  1  0.776  0.252  0.750  1.0
  O  O11  1  0.727  0.727  0.971  1.0
  O  O12  1  0.727  0.727  0.529  1.0
[/CIF]
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The structure described by MgCo2(VO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Co(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded to one Mg(1), one V(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and face-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.697
_cell_length_b   5.697
_cell_length_c   6.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.437
_symmetry_Int_Tables_number   1
_cell_volume   170.690
_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  0.150  0.150  0.250  1.0
  V  V1  1  0.413  0.413  0.250  1.0
  V  V2  1  0.620  0.620  0.750  1.0
  Co  Co3  1  0.928  0.928  0.955  1.0
  Co  Co4  1  0.928  0.928  0.545  1.0
  O  O5  1  0.303  0.303  0.038  1.0
  O  O6  1  0.303  0.303  0.462  1.0
  O  O7  1  0.214  0.779  0.250  1.0
  O  O8  1  0.252  0.776  0.750  1.0
  O  O9  1  0.779  0.214  0.250  1.0
  O  O10  1  0.776  0.252  0.750  1.0
  O  O11  1  0.727  0.727  0.971  1.0
  O  O12  1  0.727  0.727  0.529  1.0
[/CIF]
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