The structure described by LiCr2O4 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. 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 edge-sharing CrO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.926
_cell_length_b   5.099
_cell_length_c   5.099
_cell_angle_alpha   102.227
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   74.342
_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  0.000  0.295  0.705  1.0
  Cr  Cr1  1  0.500  0.577  0.423  1.0
  Cr  Cr2  1  0.000  0.980  0.020  1.0
  O  O3  1  0.500  0.144  0.856  1.0
  O  O4  1  0.500  0.808  0.192  1.0
  O  O5  1  0.000  0.316  0.314  1.0
  O  O6  1  0.000  0.686  0.684  1.0
[/CIF]
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The structure described by LiCr2O4 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. 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 edge-sharing CrO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.926
_cell_length_b   5.099
_cell_length_c   5.099
_cell_angle_alpha   102.227
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   74.342
_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  0.000  0.295  0.705  1.0
  Cr  Cr1  1  0.500  0.577  0.423  1.0
  Cr  Cr2  1  0.000  0.980  0.020  1.0
  O  O3  1  0.500  0.144  0.856  1.0
  O  O4  1  0.500  0.808  0.192  1.0
  O  O5  1  0.000  0.316  0.314  1.0
  O  O6  1  0.000  0.686  0.684  1.0
[/CIF]
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