The compound 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 42-60°. 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 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 42-64°. 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 42-64°. 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 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 42-60°. There are six inequivalent O sites. In the first O site, O(1) 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 second O site, O(2) 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 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 4-coordinate 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 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 sixth O site, O(6) 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. is represented by the CIF file [CIF]
data_VCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   5.526
_cell_length_c   4.989
_cell_angle_alpha   63.351
_cell_angle_beta   118.814
_cell_angle_gamma   118.432
_symmetry_Int_Tables_number   1
_cell_volume   103.062
_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  0.350  0.053  0.649  1.0
  V  V1  1  0.661  0.949  0.349  1.0
  Co  Co2  1  0.849  0.570  0.132  1.0
  Co  Co3  1  0.154  0.451  0.847  1.0
  O  O4  1  0.455  0.225  0.287  1.0
  O  O5  1  0.534  0.750  0.728  1.0
  O  O6  1  0.922  0.768  0.434  1.0
  O  O7  1  0.067  0.229  0.579  1.0
  O  O8  1  0.740  0.245  0.943  1.0
  O  O9  1  0.267  0.759  0.052  1.0
[/CIF]
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The compound 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 42-60°. 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 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 42-64°. 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 42-64°. 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 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 42-60°. There are six inequivalent O sites. In the first O site, O(1) 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 second O site, O(2) 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 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 4-coordinate 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 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 sixth O site, O(6) 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. is represented by the CIF file [CIF]
data_VCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   5.526
_cell_length_c   4.989
_cell_angle_alpha   63.351
_cell_angle_beta   118.814
_cell_angle_gamma   118.432
_symmetry_Int_Tables_number   1
_cell_volume   103.062
_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  0.350  0.053  0.649  1.0
  V  V1  1  0.661  0.949  0.349  1.0
  Co  Co2  1  0.849  0.570  0.132  1.0
  Co  Co3  1  0.154  0.451  0.847  1.0
  O  O4  1  0.455  0.225  0.287  1.0
  O  O5  1  0.534  0.750  0.728  1.0
  O  O6  1  0.922  0.768  0.434  1.0
  O  O7  1  0.067  0.229  0.579  1.0
  O  O8  1  0.740  0.245  0.943  1.0
  O  O9  1  0.267  0.759  0.052  1.0
[/CIF]
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