The material described by LiCr2O3 is Caswellsilverite-like 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(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the third Cr site, Cr(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of distorted edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF card [CIF]
data_LiCr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.161
_cell_length_b   5.256
_cell_length_c   5.379
_cell_angle_alpha   81.691
_cell_angle_beta   102.967
_cell_angle_gamma   60.608
_symmetry_Int_Tables_number   1
_cell_volume   118.180
_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  0.913  0.913  0.759  1.0
  Li  Li1  1  0.084  0.086  0.243  1.0
  Cr  Cr2  1  0.751  0.756  0.254  1.0
  Cr  Cr3  1  0.583  0.585  0.752  1.0
  Cr  Cr4  1  0.251  0.233  0.749  1.0
  Cr  Cr5  1  0.416  0.415  0.248  1.0
  O  O6  1  0.986  0.521  0.021  1.0
  O  O7  1  0.518  0.016  0.463  1.0
  O  O8  1  0.185  0.637  0.489  1.0
  O  O9  1  0.349  0.813  0.004  1.0
  O  O10  1  0.651  0.156  0.026  1.0
  O  O11  1  0.813  0.368  0.492  1.0
[/CIF]
.
The material described by LiCr2O3 is Caswellsilverite-like 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(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the third Cr site, Cr(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of distorted edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of edge and corner-sharing OLi2Cr4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF card [CIF]
data_LiCr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.161
_cell_length_b   5.256
_cell_length_c   5.379
_cell_angle_alpha   81.691
_cell_angle_beta   102.967
_cell_angle_gamma   60.608
_symmetry_Int_Tables_number   1
_cell_volume   118.180
_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  0.913  0.913  0.759  1.0
  Li  Li1  1  0.084  0.086  0.243  1.0
  Cr  Cr2  1  0.751  0.756  0.254  1.0
  Cr  Cr3  1  0.583  0.585  0.752  1.0
  Cr  Cr4  1  0.251  0.233  0.749  1.0
  Cr  Cr5  1  0.416  0.415  0.248  1.0
  O  O6  1  0.986  0.521  0.021  1.0
  O  O7  1  0.518  0.016  0.463  1.0
  O  O8  1  0.185  0.637  0.489  1.0
  O  O9  1  0.349  0.813  0.004  1.0
  O  O10  1  0.651  0.156  0.026  1.0
  O  O11  1  0.813  0.368  0.492  1.0
[/CIF]
.