The compound described by CoV2O6 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-63°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)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 distorted trigonal planar geometry to one V(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Co(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Co(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   6.544
_cell_length_c   6.551
_cell_angle_alpha   96.124
_cell_angle_beta   75.304
_cell_angle_gamma   104.726
_symmetry_Int_Tables_number   1
_cell_volume   231.785
_cell_formula_units_Z   2
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
  V  V0  1  0.760  0.203  0.612  1.0
  V  V1  1  0.262  0.391  0.796  1.0
  V  V2  1  0.740  0.612  0.203  1.0
  V  V3  1  0.238  0.796  0.391  1.0
  Co  Co4  1  0.250  0.920  0.920  1.0
  Co  Co5  1  0.750  0.084  0.084  1.0
  O  O6  1  0.644  0.029  0.806  1.0
  O  O7  1  0.155  0.193  0.970  1.0
  O  O8  1  0.856  0.806  0.029  1.0
  O  O9  1  0.345  0.970  0.193  1.0
  O  O10  1  0.770  0.078  0.376  1.0
  O  O11  1  0.730  0.375  0.078  1.0
  O  O12  1  0.274  0.632  0.913  1.0
  O  O13  1  0.226  0.914  0.631  1.0
  O  O14  1  0.559  0.376  0.650  1.0
  O  O15  1  0.060  0.347  0.625  1.0
  O  O16  1  0.941  0.649  0.376  1.0
  O  O17  1  0.440  0.625  0.347  1.0
[/CIF]
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The compound described by CoV2O6 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-63°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)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 distorted trigonal planar geometry to one V(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Co(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Co(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   6.544
_cell_length_c   6.551
_cell_angle_alpha   96.124
_cell_angle_beta   75.304
_cell_angle_gamma   104.726
_symmetry_Int_Tables_number   1
_cell_volume   231.785
_cell_formula_units_Z   2
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
  V  V0  1  0.760  0.203  0.612  1.0
  V  V1  1  0.262  0.391  0.796  1.0
  V  V2  1  0.740  0.612  0.203  1.0
  V  V3  1  0.238  0.796  0.391  1.0
  Co  Co4  1  0.250  0.920  0.920  1.0
  Co  Co5  1  0.750  0.084  0.084  1.0
  O  O6  1  0.644  0.029  0.806  1.0
  O  O7  1  0.155  0.193  0.970  1.0
  O  O8  1  0.856  0.806  0.029  1.0
  O  O9  1  0.345  0.970  0.193  1.0
  O  O10  1  0.770  0.078  0.376  1.0
  O  O11  1  0.730  0.375  0.078  1.0
  O  O12  1  0.274  0.632  0.913  1.0
  O  O13  1  0.226  0.914  0.631  1.0
  O  O14  1  0.559  0.376  0.650  1.0
  O  O15  1  0.060  0.347  0.625  1.0
  O  O16  1  0.941  0.649  0.376  1.0
  O  O17  1  0.440  0.625  0.347  1.0
[/CIF]
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