The crystal 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(11), one O(12), one O(2), one O(4), one O(8), and one O(9) 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 4-coordinate geometry to one O(1), one O(10), one O(11), one O(6), and one O(9) atom. In the fourth V site, V(4) 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. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one O(12), one O(3), one O(4), and one O(7) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(8), and one O(9) atom. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(5), 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(3), one Cr(1), and one Cr(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(2), one V(4), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Cr(2), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one V(2) and one Cr(4) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one V(3), one V(4), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Cr(1) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one V(1), one Cr(3), and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(1), one V(3), one Cr(3), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one V(3), one V(4), one Cr(1), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one V(1), one V(3), one Cr(1), one Cr(3), and one Cr(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(2) atom. is represented by the CIF card [CIF]
data_VCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.499
_cell_length_c   8.828
_cell_angle_alpha   105.456
_cell_angle_beta   89.978
_cell_angle_gamma   117.721
_symmetry_Int_Tables_number   1
_cell_volume   210.117
_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  0.780  0.629  0.924  1.0
  V  V1  1  0.477  0.123  0.825  1.0
  V  V2  1  0.973  0.623  0.324  1.0
  V  V3  1  0.722  0.871  0.575  1.0
  Cr  Cr4  1  0.272  0.123  0.425  1.0
  Cr  Cr5  1  0.024  0.373  0.675  1.0
  Cr  Cr6  1  0.525  0.875  0.175  1.0
  Cr  Cr7  1  0.228  0.379  0.075  1.0
  O  O8  1  0.524  0.473  0.277  1.0
  O  O9  1  0.025  0.975  0.777  1.0
  O  O10  1  0.571  0.126  0.625  1.0
  O  O11  1  0.933  0.376  0.875  1.0
  O  O12  1  0.477  0.227  0.027  1.0
  O  O13  1  0.974  0.724  0.528  1.0
  O  O14  1  0.025  0.275  0.473  1.0
  O  O15  1  0.525  0.776  0.975  1.0
  O  O16  1  0.076  0.627  0.124  1.0
  O  O17  1  0.426  0.875  0.374  1.0
  O  O18  1  0.974  0.028  0.224  1.0
  O  O19  1  0.469  0.523  0.723  1.0
[/CIF]
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The crystal 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(11), one O(12), one O(2), one O(4), one O(8), and one O(9) 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 4-coordinate geometry to one O(1), one O(10), one O(11), one O(6), and one O(9) atom. In the fourth V site, V(4) 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. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one O(12), one O(3), one O(4), and one O(7) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(8), and one O(9) atom. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(5), 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(3), one Cr(1), and one Cr(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(2), one V(4), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Cr(2), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one V(2) and one Cr(4) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one V(3), one V(4), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Cr(1) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one V(1), one Cr(3), and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(1), one V(3), one Cr(3), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one V(3), one V(4), one Cr(1), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one V(1), one V(3), one Cr(1), one Cr(3), and one Cr(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(2) atom. is represented by the CIF card [CIF]
data_VCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.499
_cell_length_c   8.828
_cell_angle_alpha   105.456
_cell_angle_beta   89.978
_cell_angle_gamma   117.721
_symmetry_Int_Tables_number   1
_cell_volume   210.117
_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  0.780  0.629  0.924  1.0
  V  V1  1  0.477  0.123  0.825  1.0
  V  V2  1  0.973  0.623  0.324  1.0
  V  V3  1  0.722  0.871  0.575  1.0
  Cr  Cr4  1  0.272  0.123  0.425  1.0
  Cr  Cr5  1  0.024  0.373  0.675  1.0
  Cr  Cr6  1  0.525  0.875  0.175  1.0
  Cr  Cr7  1  0.228  0.379  0.075  1.0
  O  O8  1  0.524  0.473  0.277  1.0
  O  O9  1  0.025  0.975  0.777  1.0
  O  O10  1  0.571  0.126  0.625  1.0
  O  O11  1  0.933  0.376  0.875  1.0
  O  O12  1  0.477  0.227  0.027  1.0
  O  O13  1  0.974  0.724  0.528  1.0
  O  O14  1  0.025  0.275  0.473  1.0
  O  O15  1  0.525  0.776  0.975  1.0
  O  O16  1  0.076  0.627  0.124  1.0
  O  O17  1  0.426  0.875  0.374  1.0
  O  O18  1  0.974  0.028  0.224  1.0
  O  O19  1  0.469  0.523  0.723  1.0
[/CIF]
.