The compound described by LiV3CrO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(15), one O(16), one O(3), one O(4), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(14), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(15), one O(16), one O(2), one O(3), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the second V site, V(2) is bonded to one O(12), one O(16), one O(3), one O(4), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(13), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. In the fourth V site, V(4) is bonded to one O(10), one O(11), one O(14), one O(2), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the fifth V site, V(5) is bonded to one O(11), one O(12), one O(15), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the sixth V site, V(6) is bonded to one O(12), one O(13), one O(16), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(14), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(14), one O(15), one O(2), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(2) atom. 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 V(5) atom. In the fourth O site, O(4) is bonded in a trigonal pyramidal geometry to one Li(1), one V(2), one V(3), and one V(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(2), one V(6), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Cr(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(5), and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one V(3), one V(6), and one Cr(1) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one Cr(1), and one Cr(2) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Cr(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   6.033
_cell_length_c   10.457
_cell_angle_alpha   97.501
_cell_angle_beta   103.958
_cell_angle_gamma   107.344
_symmetry_Int_Tables_number   1
_cell_volume   305.175
_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  0.252  0.877  0.247  1.0
  Li  Li1  1  0.745  0.626  0.748  1.0
  V  V2  1  0.657  0.192  0.118  1.0
  V  V3  1  0.849  0.550  0.380  1.0
  V  V4  1  0.170  0.946  0.623  1.0
  V  V5  1  0.331  0.306  0.880  1.0
  V  V6  1  0.639  0.694  0.122  1.0
  V  V7  1  0.869  0.065  0.382  1.0
  Cr  Cr8  1  0.128  0.437  0.624  1.0
  Cr  Cr9  1  0.364  0.811  0.877  1.0
  O  O10  1  0.400  0.769  0.687  1.0
  O  O11  1  0.634  0.151  0.942  1.0
  O  O12  1  0.897  0.534  0.199  1.0
  O  O13  1  0.137  0.888  0.435  1.0
  O  O14  1  0.398  0.280  0.700  1.0
  O  O15  1  0.629  0.640  0.939  1.0
  O  O16  1  0.908  0.020  0.193  1.0
  O  O17  1  0.117  0.393  0.431  1.0
  O  O18  1  0.861  0.612  0.562  1.0
  O  O19  1  0.098  0.970  0.800  1.0
  O  O20  1  0.366  0.353  0.061  1.0
  O  O21  1  0.599  0.730  0.302  1.0
  O  O22  1  0.873  0.093  0.557  1.0
  O  O23  1  0.095  0.481  0.813  1.0
  O  O24  1  0.380  0.865  0.074  1.0
  O  O25  1  0.603  0.215  0.303  1.0
[/CIF]
.
The compound described by LiV3CrO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(15), one O(16), one O(3), one O(4), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(14), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(15), one O(16), one O(2), one O(3), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the second V site, V(2) is bonded to one O(12), one O(16), one O(3), one O(4), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(13), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. In the fourth V site, V(4) is bonded to one O(10), one O(11), one O(14), one O(2), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the fifth V site, V(5) is bonded to one O(11), one O(12), one O(15), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the sixth V site, V(6) is bonded to one O(12), one O(13), one O(16), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(13), one O(14), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(14), one O(15), one O(2), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Cr(2) atom. 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 V(5) atom. In the fourth O site, O(4) is bonded in a trigonal pyramidal geometry to one Li(1), one V(2), one V(3), and one V(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(2), one V(6), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Cr(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(5), and one V(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one V(3), one V(6), and one Cr(1) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one Cr(1), and one Cr(2) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Cr(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   6.033
_cell_length_c   10.457
_cell_angle_alpha   97.501
_cell_angle_beta   103.958
_cell_angle_gamma   107.344
_symmetry_Int_Tables_number   1
_cell_volume   305.175
_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  0.252  0.877  0.247  1.0
  Li  Li1  1  0.745  0.626  0.748  1.0
  V  V2  1  0.657  0.192  0.118  1.0
  V  V3  1  0.849  0.550  0.380  1.0
  V  V4  1  0.170  0.946  0.623  1.0
  V  V5  1  0.331  0.306  0.880  1.0
  V  V6  1  0.639  0.694  0.122  1.0
  V  V7  1  0.869  0.065  0.382  1.0
  Cr  Cr8  1  0.128  0.437  0.624  1.0
  Cr  Cr9  1  0.364  0.811  0.877  1.0
  O  O10  1  0.400  0.769  0.687  1.0
  O  O11  1  0.634  0.151  0.942  1.0
  O  O12  1  0.897  0.534  0.199  1.0
  O  O13  1  0.137  0.888  0.435  1.0
  O  O14  1  0.398  0.280  0.700  1.0
  O  O15  1  0.629  0.640  0.939  1.0
  O  O16  1  0.908  0.020  0.193  1.0
  O  O17  1  0.117  0.393  0.431  1.0
  O  O18  1  0.861  0.612  0.562  1.0
  O  O19  1  0.098  0.970  0.800  1.0
  O  O20  1  0.366  0.353  0.061  1.0
  O  O21  1  0.599  0.730  0.302  1.0
  O  O22  1  0.873  0.093  0.557  1.0
  O  O23  1  0.095  0.481  0.813  1.0
  O  O24  1  0.380  0.865  0.074  1.0
  O  O25  1  0.603  0.215  0.303  1.0
[/CIF]
.