The compound described by MgCo2(VO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted VO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. There are three 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 in a bent 120 degrees geometry to one V(1) and one Co(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Co(1), and one Co(2) 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   5.287
_cell_length_b   5.287
_cell_length_c   6.319
_cell_angle_alpha   93.823
_cell_angle_beta   93.823
_cell_angle_gamma   65.210
_symmetry_Int_Tables_number   1
_cell_volume   159.833
_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  0.000  1.0
  V  V1  1  0.334  0.334  0.301  1.0
  V  V2  1  0.666  0.666  0.699  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.224  0.224  0.068  1.0
  O  O6  1  0.229  0.229  0.512  1.0
  O  O7  1  0.228  0.702  0.246  1.0
  O  O8  1  0.298  0.772  0.754  1.0
  O  O9  1  0.702  0.228  0.246  1.0
  O  O10  1  0.772  0.298  0.754  1.0
  O  O11  1  0.776  0.776  0.932  1.0
  O  O12  1  0.771  0.771  0.488  1.0
[/CIF]
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The compound described by MgCo2(VO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted VO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Co(1)O6 octahedra. There are three 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 in a bent 120 degrees geometry to one V(1) and one Co(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Co(1), and one Co(2) 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   5.287
_cell_length_b   5.287
_cell_length_c   6.319
_cell_angle_alpha   93.823
_cell_angle_beta   93.823
_cell_angle_gamma   65.210
_symmetry_Int_Tables_number   1
_cell_volume   159.833
_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  0.000  1.0
  V  V1  1  0.334  0.334  0.301  1.0
  V  V2  1  0.666  0.666  0.699  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.224  0.224  0.068  1.0
  O  O6  1  0.229  0.229  0.512  1.0
  O  O7  1  0.228  0.702  0.246  1.0
  O  O8  1  0.298  0.772  0.754  1.0
  O  O9  1  0.702  0.228  0.246  1.0
  O  O10  1  0.772  0.298  0.754  1.0
  O  O11  1  0.776  0.776  0.932  1.0
  O  O12  1  0.771  0.771  0.488  1.0
[/CIF]
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