The structure described by LiVCrO4 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing OLiVCr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing OLiVCr2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_LiVCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.840
_cell_length_b   5.835
_cell_length_c   5.778
_cell_angle_alpha   91.647
_cell_angle_beta   120.444
_cell_angle_gamma   59.706
_symmetry_Int_Tables_number   1
_cell_volume   139.611
_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
  Li  Li0  1  0.249  0.125  0.125  1.0
  Li  Li1  1  0.751  0.875  0.875  1.0
  V  V2  1  1.000  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  1.000  0.000  0.500  1.0
  O  O6  1  0.521  0.267  0.264  1.0
  O  O7  1  0.978  0.262  0.265  1.0
  O  O8  1  0.022  0.738  0.735  1.0
  O  O9  1  0.479  0.733  0.736  1.0
  O  O10  1  0.975  0.271  0.718  1.0
  O  O11  1  0.529  0.718  0.273  1.0
  O  O12  1  0.025  0.729  0.282  1.0
  O  O13  1  0.471  0.282  0.727  1.0
[/CIF]
.
The structure described by LiVCrO4 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing OLiVCr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing OLiVCr2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_LiVCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.840
_cell_length_b   5.835
_cell_length_c   5.778
_cell_angle_alpha   91.647
_cell_angle_beta   120.444
_cell_angle_gamma   59.706
_symmetry_Int_Tables_number   1
_cell_volume   139.611
_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
  Li  Li0  1  0.249  0.125  0.125  1.0
  Li  Li1  1  0.751  0.875  0.875  1.0
  V  V2  1  1.000  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  1.000  0.000  0.500  1.0
  O  O6  1  0.521  0.267  0.264  1.0
  O  O7  1  0.978  0.262  0.265  1.0
  O  O8  1  0.022  0.738  0.735  1.0
  O  O9  1  0.479  0.733  0.736  1.0
  O  O10  1  0.975  0.271  0.718  1.0
  O  O11  1  0.529  0.718  0.273  1.0
  O  O12  1  0.025  0.729  0.282  1.0
  O  O13  1  0.471  0.282  0.727  1.0
[/CIF]
.