The material 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(2) atoms. V(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CoO6 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 rectangular see-saw-like geometry to one Mg(1), one V(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one Co(2) atom. is represented by the CIF file [CIF]
data_MgV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.989
_cell_length_b   6.241
_cell_length_c   6.241
_cell_angle_alpha   54.977
_cell_angle_beta   93.748
_cell_angle_gamma   120.623
_symmetry_Int_Tables_number   1
_cell_volume   155.662
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.173  0.328  0.155  1.0
  V  V2  1  0.827  0.672  0.845  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.828  0.074  0.246  1.0
  O  O6  1  0.755  0.497  0.214  1.0
  O  O7  1  0.245  0.031  0.258  1.0
  O  O8  1  0.255  0.533  0.277  1.0
  O  O9  1  0.745  0.467  0.723  1.0
  O  O10  1  0.755  0.969  0.742  1.0
  O  O11  1  0.245  0.503  0.786  1.0
  O  O12  1  0.172  0.926  0.754  1.0
[/CIF]
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The material 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(2) atoms. V(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CoO6 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 rectangular see-saw-like geometry to one Mg(1), one V(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one Co(2) atom. is represented by the CIF file [CIF]
data_MgV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.989
_cell_length_b   6.241
_cell_length_c   6.241
_cell_angle_alpha   54.977
_cell_angle_beta   93.748
_cell_angle_gamma   120.623
_symmetry_Int_Tables_number   1
_cell_volume   155.662
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.173  0.328  0.155  1.0
  V  V2  1  0.827  0.672  0.845  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.828  0.074  0.246  1.0
  O  O6  1  0.755  0.497  0.214  1.0
  O  O7  1  0.245  0.031  0.258  1.0
  O  O8  1  0.255  0.533  0.277  1.0
  O  O9  1  0.745  0.467  0.723  1.0
  O  O10  1  0.755  0.969  0.742  1.0
  O  O11  1  0.245  0.503  0.786  1.0
  O  O12  1  0.172  0.926  0.754  1.0
[/CIF]
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