The material structure described by LiCrTiO4 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 Ti(1)O6 octahedra and corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. 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 Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ti(1), and one Cr(1) atom to form distorted OLiTi2Cr trigonal pyramids that share corners with six equivalent O(1)LiTi2Cr trigonal pyramids, corners with six equivalent O(2)LiTiCr2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Cr trigonal pyramid, and edges with two equivalent O(2)LiTiCr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Cr(1) atoms to form distorted OLiTiCr2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Cr trigonal pyramids, corners with six equivalent O(2)LiTiCr2 trigonal pyramids,  an edgeedge with one O(2)LiTiCr2 trigonal pyramid, and edges with two equivalent O(1)LiTi2Cr trigonal pyramids. is represented by the CIF card [CIF]
data_LiTiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.958
_cell_length_c   5.958
_cell_angle_alpha   60.254
_cell_angle_beta   89.648
_cell_angle_gamma   119.847
_symmetry_Int_Tables_number   1
_cell_volume   150.012
_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  0.500  0.500  1.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.122  0.750  0.128  1.0
  Li  Li3  1  0.878  0.250  0.872  1.0
  O  O4  1  0.258  0.472  0.270  1.0
  O  O5  1  0.258  0.028  0.714  1.0
  O  O6  1  0.742  0.972  0.286  1.0
  O  O7  1  0.742  0.528  0.730  1.0
  O  O8  1  0.256  0.022  0.267  1.0
  O  O9  1  0.711  0.478  0.267  1.0
  O  O10  1  0.744  0.978  0.733  1.0
  O  O11  1  0.289  0.522  0.733  1.0
  Ti  Ti12  1  0.500  0.500  0.500  1.0
  Ti  Ti13  1  1.000  1.000  0.500  1.0
[/CIF]
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The material structure described by LiCrTiO4 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 Ti(1)O6 octahedra and corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. 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 Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ti(1), and one Cr(1) atom to form distorted OLiTi2Cr trigonal pyramids that share corners with six equivalent O(1)LiTi2Cr trigonal pyramids, corners with six equivalent O(2)LiTiCr2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Cr trigonal pyramid, and edges with two equivalent O(2)LiTiCr2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Cr(1) atoms to form distorted OLiTiCr2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Cr trigonal pyramids, corners with six equivalent O(2)LiTiCr2 trigonal pyramids,  an edgeedge with one O(2)LiTiCr2 trigonal pyramid, and edges with two equivalent O(1)LiTi2Cr trigonal pyramids. is represented by the CIF card [CIF]
data_LiTiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.958
_cell_length_c   5.958
_cell_angle_alpha   60.254
_cell_angle_beta   89.648
_cell_angle_gamma   119.847
_symmetry_Int_Tables_number   1
_cell_volume   150.012
_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  0.500  0.500  1.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.122  0.750  0.128  1.0
  Li  Li3  1  0.878  0.250  0.872  1.0
  O  O4  1  0.258  0.472  0.270  1.0
  O  O5  1  0.258  0.028  0.714  1.0
  O  O6  1  0.742  0.972  0.286  1.0
  O  O7  1  0.742  0.528  0.730  1.0
  O  O8  1  0.256  0.022  0.267  1.0
  O  O9  1  0.711  0.478  0.267  1.0
  O  O10  1  0.744  0.978  0.733  1.0
  O  O11  1  0.289  0.522  0.733  1.0
  Ti  Ti12  1  0.500  0.500  0.500  1.0
  Ti  Ti13  1  1.000  1.000  0.500  1.0
[/CIF]
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