The compound described by CoVO4 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) 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 two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_VCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   4.984
_cell_length_c   5.863
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.935
_symmetry_Int_Tables_number   1
_cell_volume   134.144
_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  0.648  0.352  0.250  1.0
  V  V1  1  0.352  0.648  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.773  0.227  0.024  1.0
  O  O5  1  0.773  0.227  0.476  1.0
  O  O6  1  0.248  0.211  0.250  1.0
  O  O7  1  0.211  0.248  0.750  1.0
  O  O8  1  0.789  0.752  0.250  1.0
  O  O9  1  0.752  0.789  0.750  1.0
  O  O10  1  0.227  0.773  0.976  1.0
  O  O11  1  0.227  0.773  0.524  1.0
[/CIF]
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The compound described by CoVO4 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) 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 two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_VCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   4.984
_cell_length_c   5.863
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.935
_symmetry_Int_Tables_number   1
_cell_volume   134.144
_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  0.648  0.352  0.250  1.0
  V  V1  1  0.352  0.648  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.773  0.227  0.024  1.0
  O  O5  1  0.773  0.227  0.476  1.0
  O  O6  1  0.248  0.211  0.250  1.0
  O  O7  1  0.211  0.248  0.750  1.0
  O  O8  1  0.789  0.752  0.250  1.0
  O  O9  1  0.752  0.789  0.750  1.0
  O  O10  1  0.227  0.773  0.976  1.0
  O  O11  1  0.227  0.773  0.524  1.0
[/CIF]
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