The material described by CoVO3 is Ilmenite structured and crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(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 distorted VO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the second V site, V(2) 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 distorted VO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are two inequivalent Co sites. In the first Co site, 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 distorted CoO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with six equivalent V(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the second Co site, Co(2) 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 distorted CoO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one V(2), one Co(1), and one Co(2) atom to form distorted edge-sharing OV2Co2 trigonal pyramids. In the second O site, O(2) is bonded to one V(1), one V(2), one Co(1), and one Co(2) atom to form distorted edge-sharing OV2Co2 trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.995
_cell_length_b   5.504
_cell_length_c   5.116
_cell_angle_alpha   62.297
_cell_angle_beta   118.653
_cell_angle_gamma   116.236
_symmetry_Int_Tables_number   1
_cell_volume   104.845
_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  0.647  0.954  0.337  1.0
  V  V1  1  0.352  0.046  0.663  1.0
  Co  Co2  1  0.149  0.427  0.859  1.0
  Co  Co3  1  0.853  0.572  0.141  1.0
  O  O4  1  0.463  0.237  0.273  1.0
  O  O5  1  0.537  0.762  0.727  1.0
  O  O6  1  0.928  0.767  0.442  1.0
  O  O7  1  0.072  0.234  0.557  1.0
  O  O8  1  0.730  0.238  0.935  1.0
  O  O9  1  0.270  0.764  0.065  1.0
[/CIF]
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The material described by CoVO3 is Ilmenite structured and crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(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 distorted VO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the second V site, V(2) 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 distorted VO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are two inequivalent Co sites. In the first Co site, 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 distorted CoO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with six equivalent V(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the second Co site, Co(2) 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 distorted CoO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one V(2), one Co(1), and one Co(2) atom to form distorted edge-sharing OV2Co2 trigonal pyramids. In the second O site, O(2) is bonded to one V(1), one V(2), one Co(1), and one Co(2) atom to form distorted edge-sharing OV2Co2 trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one V(1), one V(2), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.995
_cell_length_b   5.504
_cell_length_c   5.116
_cell_angle_alpha   62.297
_cell_angle_beta   118.653
_cell_angle_gamma   116.236
_symmetry_Int_Tables_number   1
_cell_volume   104.845
_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  0.647  0.954  0.337  1.0
  V  V1  1  0.352  0.046  0.663  1.0
  Co  Co2  1  0.149  0.427  0.859  1.0
  Co  Co3  1  0.853  0.572  0.141  1.0
  O  O4  1  0.463  0.237  0.273  1.0
  O  O5  1  0.537  0.762  0.727  1.0
  O  O6  1  0.928  0.767  0.442  1.0
  O  O7  1  0.072  0.234  0.557  1.0
  O  O8  1  0.730  0.238  0.935  1.0
  O  O9  1  0.270  0.764  0.065  1.0
[/CIF]
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