The material structure described by LiCrMnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. Cr(1) 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(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)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 to one Li(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted OLiMn2Cr trigonal pyramids that share corners with six equivalent O(1)LiMn2Cr trigonal pyramids, corners with six equivalent O(2)LiMnCr2 trigonal pyramids,  an edgeedge with one O(1)LiMn2Cr trigonal pyramid, and edges with two equivalent O(2)LiMnCr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 trigonal pyramids that share corners with six equivalent O(1)LiMn2Cr trigonal pyramids, corners with six equivalent O(2)LiMnCr2 trigonal pyramids,  an edgeedge with one O(2)LiMnCr2 trigonal pyramid, and edges with two equivalent O(1)LiMn2Cr trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   120.589
_cell_angle_beta   119.233
_cell_angle_gamma   90.159
_symmetry_Int_Tables_number   1
_cell_volume   146.652
_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  0.869  0.119  0.750  1.0
  Li  Li1  1  0.131  0.881  0.250  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.710  0.743  0.968  1.0
  O  O7  1  0.275  0.743  0.532  1.0
  O  O8  1  0.269  0.290  0.521  1.0
  O  O9  1  0.269  0.748  0.979  1.0
  O  O10  1  0.731  0.710  0.479  1.0
  O  O11  1  0.731  0.252  0.021  1.0
  O  O12  1  0.725  0.257  0.468  1.0
  O  O13  1  0.290  0.257  0.032  1.0
[/CIF]
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The material structure described by LiCrMnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. Cr(1) 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(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)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 to one Li(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted OLiMn2Cr trigonal pyramids that share corners with six equivalent O(1)LiMn2Cr trigonal pyramids, corners with six equivalent O(2)LiMnCr2 trigonal pyramids,  an edgeedge with one O(1)LiMn2Cr trigonal pyramid, and edges with two equivalent O(2)LiMnCr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 trigonal pyramids that share corners with six equivalent O(1)LiMn2Cr trigonal pyramids, corners with six equivalent O(2)LiMnCr2 trigonal pyramids,  an edgeedge with one O(2)LiMnCr2 trigonal pyramid, and edges with two equivalent O(1)LiMn2Cr trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   120.589
_cell_angle_beta   119.233
_cell_angle_gamma   90.159
_symmetry_Int_Tables_number   1
_cell_volume   146.652
_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  0.869  0.119  0.750  1.0
  Li  Li1  1  0.131  0.881  0.250  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.710  0.743  0.968  1.0
  O  O7  1  0.275  0.743  0.532  1.0
  O  O8  1  0.269  0.290  0.521  1.0
  O  O9  1  0.269  0.748  0.979  1.0
  O  O10  1  0.731  0.710  0.479  1.0
  O  O11  1  0.731  0.252  0.021  1.0
  O  O12  1  0.725  0.257  0.468  1.0
  O  O13  1  0.290  0.257  0.032  1.0
[/CIF]
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