The material structure described by TiCrO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.743
_cell_length_b   3.769
_cell_length_c   5.532
_cell_angle_alpha   70.362
_cell_angle_beta   70.254
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   68.620
_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
  Cr  Cr0  1  0.998  0.010  0.002  1.0
  O  O1  1  0.963  0.458  0.077  1.0
  O  O2  1  0.539  0.026  0.922  1.0
  O  O3  1  0.796  0.798  0.406  1.0
  O  O4  1  0.203  0.211  0.594  1.0
  Ti  Ti5  1  0.751  0.248  0.499  1.0
[/CIF]
.
The material structure described by TiCrO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.743
_cell_length_b   3.769
_cell_length_c   5.532
_cell_angle_alpha   70.362
_cell_angle_beta   70.254
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   68.620
_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
  Cr  Cr0  1  0.998  0.010  0.002  1.0
  O  O1  1  0.963  0.458  0.077  1.0
  O  O2  1  0.539  0.026  0.922  1.0
  O  O3  1  0.796  0.798  0.406  1.0
  O  O4  1  0.203  0.211  0.594  1.0
  Ti  Ti5  1  0.751  0.248  0.499  1.0
[/CIF]
.