The structure described by MgCo2(VO4)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(6) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are six 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(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMgVCo2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Co(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), 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   5.130
_cell_length_b   5.323
_cell_length_c   6.352
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   67.422
_symmetry_Int_Tables_number   1
_cell_volume   160.134
_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  0.574  0.845  0.250  1.0
  V  V1  1  0.335  0.377  0.250  1.0
  V  V2  1  0.647  0.639  0.750  1.0
  Co  Co3  1  0.994  0.011  0.989  1.0
  Co  Co4  1  0.994  0.011  0.511  1.0
  O  O5  1  0.239  0.229  0.044  1.0
  O  O6  1  0.239  0.229  0.456  1.0
  O  O7  1  0.235  0.745  0.250  1.0
  O  O8  1  0.277  0.786  0.750  1.0
  O  O9  1  0.711  0.192  0.250  1.0
  O  O10  1  0.773  0.282  0.750  1.0
  O  O11  1  0.767  0.752  0.975  1.0
  O  O12  1  0.767  0.752  0.525  1.0
[/CIF]
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The structure described by MgCo2(VO4)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(6) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are six 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(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMgVCo2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Co(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), 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   5.130
_cell_length_b   5.323
_cell_length_c   6.352
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   67.422
_symmetry_Int_Tables_number   1
_cell_volume   160.134
_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  0.574  0.845  0.250  1.0
  V  V1  1  0.335  0.377  0.250  1.0
  V  V2  1  0.647  0.639  0.750  1.0
  Co  Co3  1  0.994  0.011  0.989  1.0
  Co  Co4  1  0.994  0.011  0.511  1.0
  O  O5  1  0.239  0.229  0.044  1.0
  O  O6  1  0.239  0.229  0.456  1.0
  O  O7  1  0.235  0.745  0.250  1.0
  O  O8  1  0.277  0.786  0.750  1.0
  O  O9  1  0.711  0.192  0.250  1.0
  O  O10  1  0.773  0.282  0.750  1.0
  O  O11  1  0.767  0.752  0.975  1.0
  O  O12  1  0.767  0.752  0.525  1.0
[/CIF]
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