The compound described by V2O3 is Corundum structured and crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. is represented by the CIF card [CIF]
data_V2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.104
_cell_length_b   5.106
_cell_length_c   5.572
_cell_angle_alpha   63.359
_cell_angle_beta   88.291
_cell_angle_gamma   119.201
_symmetry_Int_Tables_number   1
_cell_volume   107.392
_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  0.847  0.703  0.449  1.0
  V  V1  1  0.653  0.298  0.047  1.0
  V  V2  1  0.157  0.304  0.547  1.0
  V  V3  1  0.351  0.710  0.949  1.0
  O  O4  1  0.437  0.189  0.748  1.0
  O  O5  1  0.567  0.818  0.248  1.0
  O  O6  1  0.256  0.209  0.243  1.0
  O  O7  1  0.748  0.799  0.753  1.0
  O  O8  1  0.054  0.506  0.743  1.0
  O  O9  1  0.950  0.501  0.253  1.0
[/CIF]
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The compound described by V2O3 is Corundum structured and crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner, edge, and face-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. is represented by the CIF card [CIF]
data_V2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.104
_cell_length_b   5.106
_cell_length_c   5.572
_cell_angle_alpha   63.359
_cell_angle_beta   88.291
_cell_angle_gamma   119.201
_symmetry_Int_Tables_number   1
_cell_volume   107.392
_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  0.847  0.703  0.449  1.0
  V  V1  1  0.653  0.298  0.047  1.0
  V  V2  1  0.157  0.304  0.547  1.0
  V  V3  1  0.351  0.710  0.949  1.0
  O  O4  1  0.437  0.189  0.748  1.0
  O  O5  1  0.567  0.818  0.248  1.0
  O  O6  1  0.256  0.209  0.243  1.0
  O  O7  1  0.748  0.799  0.753  1.0
  O  O8  1  0.054  0.506  0.743  1.0
  O  O9  1  0.950  0.501  0.253  1.0
[/CIF]
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