The compound described by LiTiV2CrO10 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Ti(1) is bonded to four equivalent O(3) atoms to form TiO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O4 tetrahedra and corners with two equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to four equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ti(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiTiV2CrO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   6.561
_cell_length_c   5.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.344
_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  0.250  0.750  0.000  1.0
  Ti  Ti1  1  0.750  0.250  0.500  1.0
  V  V2  1  0.250  0.250  0.610  1.0
  V  V3  1  0.750  0.750  0.390  1.0
  Cr  Cr4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.045  0.750  0.296  1.0
  O  O6  1  0.250  0.250  0.303  1.0
  O  O7  1  0.250  0.545  0.704  1.0
  O  O8  1  0.250  0.955  0.704  1.0
  O  O9  1  0.455  0.750  0.296  1.0
  O  O10  1  0.520  0.250  0.699  1.0
  O  O11  1  0.750  0.020  0.301  1.0
  O  O12  1  0.750  0.480  0.301  1.0
  O  O13  1  0.750  0.750  0.697  1.0
  O  O14  1  0.980  0.250  0.699  1.0
[/CIF]
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The compound described by LiTiV2CrO10 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Ti(1) is bonded to four equivalent O(3) atoms to form TiO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O4 tetrahedra and corners with two equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to four equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ti(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiTiV2CrO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   6.561
_cell_length_c   5.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.344
_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  0.250  0.750  0.000  1.0
  Ti  Ti1  1  0.750  0.250  0.500  1.0
  V  V2  1  0.250  0.250  0.610  1.0
  V  V3  1  0.750  0.750  0.390  1.0
  Cr  Cr4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.045  0.750  0.296  1.0
  O  O6  1  0.250  0.250  0.303  1.0
  O  O7  1  0.250  0.545  0.704  1.0
  O  O8  1  0.250  0.955  0.704  1.0
  O  O9  1  0.455  0.750  0.296  1.0
  O  O10  1  0.520  0.250  0.699  1.0
  O  O11  1  0.750  0.020  0.301  1.0
  O  O12  1  0.750  0.480  0.301  1.0
  O  O13  1  0.750  0.750  0.697  1.0
  O  O14  1  0.980  0.250  0.699  1.0
[/CIF]
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