The structure described by LiCr2O4 is Ilmenite-like structured and crystallizes in the monoclinic P2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)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 64-65°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(2)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing OLiCr3 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.980
_cell_length_b   4.752
_cell_length_c   4.733
_cell_angle_alpha   88.782
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.005
_cell_formula_units_Z   1
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  0.750  0.500  0.000  1.0
  Cr  Cr1  1  0.489  0.500  0.500  1.0
  Cr  Cr2  1  0.011  0.000  0.000  1.0
  O  O3  1  0.502  0.206  0.802  1.0
  O  O4  1  0.502  0.794  0.198  1.0
  O  O5  1  0.997  0.309  0.302  1.0
  O  O6  1  0.997  0.691  0.698  1.0
[/CIF]
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The structure described by LiCr2O4 is Ilmenite-like structured and crystallizes in the monoclinic P2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)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 64-65°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(2)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing OLiCr3 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.980
_cell_length_b   4.752
_cell_length_c   4.733
_cell_angle_alpha   88.782
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.005
_cell_formula_units_Z   1
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  0.750  0.500  0.000  1.0
  Cr  Cr1  1  0.489  0.500  0.500  1.0
  Cr  Cr2  1  0.011  0.000  0.000  1.0
  O  O3  1  0.502  0.206  0.802  1.0
  O  O4  1  0.502  0.794  0.198  1.0
  O  O5  1  0.997  0.309  0.302  1.0
  O  O6  1  0.997  0.691  0.698  1.0
[/CIF]
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