The material 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 4-coordinate geometry to 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 2-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(8) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(10), 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 4-coordinate geometry to one O(12), 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 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(5), one O(8), and one O(9) atom. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one V(3), one Cr(3), and one Cr(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one V(2), one V(4), and one Cr(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(4), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(2), one Cr(1), one Cr(2), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one V(2), one V(3), one Cr(1), one Cr(3), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one Cr(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(3), one Cr(1), 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(1), one V(3), one V(4), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one V(1) and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_VCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.500
_cell_length_c   8.862
_cell_angle_alpha   105.582
_cell_angle_beta   89.942
_cell_angle_gamma   117.600
_symmetry_Int_Tables_number   1
_cell_volume   209.829
_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  0.723  0.875  0.573  1.0
  V  V1  1  0.525  0.877  0.173  1.0
  V  V2  1  0.026  0.377  0.677  1.0
  V  V3  1  0.277  0.126  0.426  1.0
  Cr  Cr4  1  0.227  0.376  0.076  1.0
  Cr  Cr5  1  0.975  0.628  0.323  1.0
  Cr  Cr6  1  0.476  0.125  0.827  1.0
  Cr  Cr7  1  0.773  0.622  0.924  1.0
  O  O8  1  0.776  0.526  0.724  1.0
  O  O9  1  0.276  0.026  0.223  1.0
  O  O10  1  0.821  0.874  0.374  1.0
  O  O11  1  0.678  0.624  0.124  1.0
  O  O12  1  0.223  0.775  0.974  1.0
  O  O13  1  0.724  0.281  0.472  1.0
  O  O14  1  0.276  0.720  0.525  1.0
  O  O15  1  0.779  0.226  0.026  1.0
  O  O16  1  0.325  0.374  0.878  1.0
  O  O17  1  0.179  0.125  0.628  1.0
  O  O18  1  0.721  0.972  0.776  1.0
  O  O19  1  0.221  0.471  0.277  1.0
[/CIF]
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The material 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 4-coordinate geometry to 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 2-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(8) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(10), 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 4-coordinate geometry to one O(12), 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 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(5), one O(8), and one O(9) atom. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one V(3), one Cr(3), and one Cr(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one V(2), one V(4), and one Cr(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(4), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one V(2), one Cr(1), one Cr(2), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one V(2), one V(3), one Cr(1), one Cr(3), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one Cr(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one V(3), one Cr(1), 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(1), one V(3), one V(4), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one V(1) and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_VCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.500
_cell_length_c   8.862
_cell_angle_alpha   105.582
_cell_angle_beta   89.942
_cell_angle_gamma   117.600
_symmetry_Int_Tables_number   1
_cell_volume   209.829
_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  0.723  0.875  0.573  1.0
  V  V1  1  0.525  0.877  0.173  1.0
  V  V2  1  0.026  0.377  0.677  1.0
  V  V3  1  0.277  0.126  0.426  1.0
  Cr  Cr4  1  0.227  0.376  0.076  1.0
  Cr  Cr5  1  0.975  0.628  0.323  1.0
  Cr  Cr6  1  0.476  0.125  0.827  1.0
  Cr  Cr7  1  0.773  0.622  0.924  1.0
  O  O8  1  0.776  0.526  0.724  1.0
  O  O9  1  0.276  0.026  0.223  1.0
  O  O10  1  0.821  0.874  0.374  1.0
  O  O11  1  0.678  0.624  0.124  1.0
  O  O12  1  0.223  0.775  0.974  1.0
  O  O13  1  0.724  0.281  0.472  1.0
  O  O14  1  0.276  0.720  0.525  1.0
  O  O15  1  0.779  0.226  0.026  1.0
  O  O16  1  0.325  0.374  0.878  1.0
  O  O17  1  0.179  0.125  0.628  1.0
  O  O18  1  0.721  0.972  0.776  1.0
  O  O19  1  0.221  0.471  0.277  1.0
[/CIF]
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