The material structure described by V(CrO3) crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one O(1), one O(10), one O(11), one O(3), and one O(7) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(3), and one O(6) atom. In the fourth V site, V(4) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(9) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(6), and one O(9) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(3), one O(4), and one O(7) atom. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one V(2), one V(3), one V(4), one Cr(1), and one Cr(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(3), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(2), one V(4), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one V(2), one V(4), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one V(3) and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one V(1) and one Cr(3) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Cr(1) and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(4), one Cr(1), one Cr(2), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one V(1), one V(3), one Cr(2), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(3), one Cr(1), and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.497
_cell_length_c   8.847
_cell_angle_alpha   105.538
_cell_angle_beta   90.013
_cell_angle_gamma   117.661
_symmetry_Int_Tables_number   1
_cell_volume   209.635
_cell_formula_units_Z   4
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  0.148  0.871  0.575  1.0
  V  V1  1  0.352  0.876  0.174  1.0
  V  V2  1  0.850  0.126  0.427  1.0
  V  V3  1  0.852  0.629  0.923  1.0
  Cr  Cr4  1  0.150  0.376  0.075  1.0
  Cr  Cr5  1  0.347  0.370  0.675  1.0
  Cr  Cr6  1  0.653  0.627  0.324  1.0
  Cr  Cr7  1  0.649  0.127  0.827  1.0
  O  O8  1  0.053  0.524  0.723  1.0
  O  O9  1  0.053  0.027  0.223  1.0
  O  O10  1  0.447  0.873  0.375  1.0
  O  O11  1  0.554  0.624  0.124  1.0
  O  O12  1  0.252  0.777  0.973  1.0
  O  O13  1  0.253  0.279  0.473  1.0
  O  O14  1  0.748  0.719  0.526  1.0
  O  O15  1  0.752  0.225  0.026  1.0
  O  O16  1  0.445  0.374  0.875  1.0
  O  O17  1  0.551  0.125  0.628  1.0
  O  O18  1  0.946  0.977  0.777  1.0
  O  O19  1  0.946  0.472  0.276  1.0
[/CIF]
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The material structure described by V(CrO3) crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one O(1), one O(10), one O(11), one O(3), and one O(7) atom. In the second V site, V(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(3), and one O(6) atom. In the fourth V site, V(4) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(9) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(6), and one O(9) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(3), one O(4), and one O(7) atom. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one V(2), one V(3), one V(4), one Cr(1), and one Cr(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(3), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(2), one V(4), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one V(2), one V(4), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one V(3) and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one V(1) and one Cr(3) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Cr(1) and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(4), one Cr(1), one Cr(2), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one V(1), one V(3), one Cr(2), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(3), one Cr(1), and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.497
_cell_length_c   8.847
_cell_angle_alpha   105.538
_cell_angle_beta   90.013
_cell_angle_gamma   117.661
_symmetry_Int_Tables_number   1
_cell_volume   209.635
_cell_formula_units_Z   4
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  0.148  0.871  0.575  1.0
  V  V1  1  0.352  0.876  0.174  1.0
  V  V2  1  0.850  0.126  0.427  1.0
  V  V3  1  0.852  0.629  0.923  1.0
  Cr  Cr4  1  0.150  0.376  0.075  1.0
  Cr  Cr5  1  0.347  0.370  0.675  1.0
  Cr  Cr6  1  0.653  0.627  0.324  1.0
  Cr  Cr7  1  0.649  0.127  0.827  1.0
  O  O8  1  0.053  0.524  0.723  1.0
  O  O9  1  0.053  0.027  0.223  1.0
  O  O10  1  0.447  0.873  0.375  1.0
  O  O11  1  0.554  0.624  0.124  1.0
  O  O12  1  0.252  0.777  0.973  1.0
  O  O13  1  0.253  0.279  0.473  1.0
  O  O14  1  0.748  0.719  0.526  1.0
  O  O15  1  0.752  0.225  0.026  1.0
  O  O16  1  0.445  0.374  0.875  1.0
  O  O17  1  0.551  0.125  0.628  1.0
  O  O18  1  0.946  0.977  0.777  1.0
  O  O19  1  0.946  0.472  0.276  1.0
[/CIF]
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