The structure described by LiCr2O4 is Spinel structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.914
_cell_length_c   5.914
_cell_angle_alpha   90.842
_cell_angle_beta   119.515
_cell_angle_gamma   119.515
_symmetry_Int_Tables_number   1
_cell_volume   147.309
_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
  Cr  Cr0  1  0.748  0.498  0.750  1.0
  Cr  Cr1  1  0.748  1.000  0.748  1.0
  Cr  Cr2  1  0.252  0.502  0.250  1.0
  Cr  Cr3  1  0.252  0.500  0.752  1.0
  Li  Li4  1  0.500  0.125  0.125  1.0
  Li  Li5  1  1.000  0.875  0.375  1.0
  O  O6  1  0.724  0.738  0.961  1.0
  O  O7  1  0.724  0.735  0.513  1.0
  O  O8  1  0.778  0.263  0.539  1.0
  O  O9  1  0.778  0.265  0.988  1.0
  O  O10  1  0.222  0.711  0.987  1.0
  O  O11  1  0.222  0.262  0.985  1.0
  O  O12  1  0.276  0.289  0.512  1.0
  O  O13  1  0.276  0.737  0.515  1.0
[/CIF]
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The structure described by LiCr2O4 is Spinel structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.914
_cell_length_c   5.914
_cell_angle_alpha   90.842
_cell_angle_beta   119.515
_cell_angle_gamma   119.515
_symmetry_Int_Tables_number   1
_cell_volume   147.309
_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
  Cr  Cr0  1  0.748  0.498  0.750  1.0
  Cr  Cr1  1  0.748  1.000  0.748  1.0
  Cr  Cr2  1  0.252  0.502  0.250  1.0
  Cr  Cr3  1  0.252  0.500  0.752  1.0
  Li  Li4  1  0.500  0.125  0.125  1.0
  Li  Li5  1  1.000  0.875  0.375  1.0
  O  O6  1  0.724  0.738  0.961  1.0
  O  O7  1  0.724  0.735  0.513  1.0
  O  O8  1  0.778  0.263  0.539  1.0
  O  O9  1  0.778  0.265  0.988  1.0
  O  O10  1  0.222  0.711  0.987  1.0
  O  O11  1  0.222  0.262  0.985  1.0
  O  O12  1  0.276  0.289  0.512  1.0
  O  O13  1  0.276  0.737  0.515  1.0
[/CIF]
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