The crystal structure described by LiCrTiO4 crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Cr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), and two equivalent Cr(1) atoms to form distorted OLiTiCr2 tetrahedra that share corners with two equivalent O(2)Li2Ti2Cr square pyramids, corners with two equivalent O(1)LiTiCr2 tetrahedra, and edges with two equivalent O(2)Li2Ti2Cr square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and one Cr(1) atom to form OLi2Ti2Cr square pyramids that share corners with two equivalent O(1)LiTiCr2 tetrahedra, edges with two equivalent O(2)Li2Ti2Cr square pyramids, and edges with two equivalent O(1)LiTiCr2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_LiTiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.985
_cell_length_b   5.057
_cell_length_c   9.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.622
_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  0.250  0.515  0.362  1.0
  Cr  Cr1  1  0.250  0.985  0.862  1.0
  Li  Li2  1  0.750  0.440  0.964  1.0
  Li  Li3  1  0.750  0.060  0.464  1.0
  O  O4  1  0.750  0.692  0.464  1.0
  O  O5  1  0.750  0.808  0.964  1.0
  O  O6  1  0.250  0.289  0.535  1.0
  O  O7  1  0.250  0.211  0.035  1.0
  O  O8  1  0.750  0.211  0.781  1.0
  O  O9  1  0.750  0.289  0.281  1.0
  O  O10  1  0.250  0.815  0.218  1.0
  O  O11  1  0.250  0.685  0.718  1.0
  Ti  Ti12  1  0.750  0.487  0.643  1.0
  Ti  Ti13  1  0.750  0.013  0.143  1.0
[/CIF]
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The crystal structure described by LiCrTiO4 crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Cr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), and two equivalent Cr(1) atoms to form distorted OLiTiCr2 tetrahedra that share corners with two equivalent O(2)Li2Ti2Cr square pyramids, corners with two equivalent O(1)LiTiCr2 tetrahedra, and edges with two equivalent O(2)Li2Ti2Cr square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and one Cr(1) atom to form OLi2Ti2Cr square pyramids that share corners with two equivalent O(1)LiTiCr2 tetrahedra, edges with two equivalent O(2)Li2Ti2Cr square pyramids, and edges with two equivalent O(1)LiTiCr2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_LiTiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.985
_cell_length_b   5.057
_cell_length_c   9.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.622
_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  0.250  0.515  0.362  1.0
  Cr  Cr1  1  0.250  0.985  0.862  1.0
  Li  Li2  1  0.750  0.440  0.964  1.0
  Li  Li3  1  0.750  0.060  0.464  1.0
  O  O4  1  0.750  0.692  0.464  1.0
  O  O5  1  0.750  0.808  0.964  1.0
  O  O6  1  0.250  0.289  0.535  1.0
  O  O7  1  0.250  0.211  0.035  1.0
  O  O8  1  0.750  0.211  0.781  1.0
  O  O9  1  0.750  0.289  0.281  1.0
  O  O10  1  0.250  0.815  0.218  1.0
  O  O11  1  0.250  0.685  0.718  1.0
  Ti  Ti12  1  0.750  0.487  0.643  1.0
  Ti  Ti13  1  0.750  0.013  0.143  1.0
[/CIF]
.