The material described by Cr2TiO5 crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Cr(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1) and two equivalent Cr(1) atoms to form distorted OTi2Cr2 trigonal pyramids that share corners with two equivalent O(1)Ti2Cr2 trigonal pyramids, corners with two equivalent O(3)TiCr3 trigonal pyramids, and edges with four equivalent O(3)TiCr3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded to one Ti(1) and three equivalent Cr(1) atoms to form OTiCr3 trigonal pyramids that share  a cornercorner with one O(1)Ti2Cr2 trigonal pyramid, corners with three equivalent O(3)TiCr3 trigonal pyramids, edges with two equivalent O(1)Ti2Cr2 trigonal pyramids, and edges with two equivalent O(3)TiCr3 trigonal pyramids. is represented by the CIF card [CIF]
data_TiCr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   5.615
_cell_length_c   7.244
_cell_angle_alpha   109.561
_cell_angle_beta   90.000
_cell_angle_gamma   63.084
_symmetry_Int_Tables_number   1
_cell_volume   170.878
_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
  Ti  Ti0  1  1.000  0.000  0.000  1.0
  Ti  Ti1  1  1.000  0.000  0.500  1.0
  Cr  Cr2  1  0.617  0.753  0.286  1.0
  Cr  Cr3  1  0.630  0.753  0.786  1.0
  Cr  Cr4  1  0.383  0.247  0.714  1.0
  Cr  Cr5  1  0.370  0.247  0.214  1.0
  O  O6  1  0.192  0.000  0.750  1.0
  O  O7  1  0.808  1.000  0.250  1.0
  O  O8  1  0.038  0.628  0.848  1.0
  O  O9  1  0.962  0.372  0.152  1.0
  O  O10  1  0.666  0.372  0.652  1.0
  O  O11  1  0.334  0.628  0.348  1.0
  O  O12  1  0.746  0.838  0.555  1.0
  O  O13  1  0.254  0.162  0.445  1.0
  O  O14  1  0.584  0.162  0.945  1.0
  O  O15  1  0.416  0.838  0.055  1.0
[/CIF]
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The material described by Cr2TiO5 crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Cr(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1) and two equivalent Cr(1) atoms to form distorted OTi2Cr2 trigonal pyramids that share corners with two equivalent O(1)Ti2Cr2 trigonal pyramids, corners with two equivalent O(3)TiCr3 trigonal pyramids, and edges with four equivalent O(3)TiCr3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded to one Ti(1) and three equivalent Cr(1) atoms to form OTiCr3 trigonal pyramids that share  a cornercorner with one O(1)Ti2Cr2 trigonal pyramid, corners with three equivalent O(3)TiCr3 trigonal pyramids, edges with two equivalent O(1)Ti2Cr2 trigonal pyramids, and edges with two equivalent O(3)TiCr3 trigonal pyramids. is represented by the CIF card [CIF]
data_TiCr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   5.615
_cell_length_c   7.244
_cell_angle_alpha   109.561
_cell_angle_beta   90.000
_cell_angle_gamma   63.084
_symmetry_Int_Tables_number   1
_cell_volume   170.878
_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
  Ti  Ti0  1  1.000  0.000  0.000  1.0
  Ti  Ti1  1  1.000  0.000  0.500  1.0
  Cr  Cr2  1  0.617  0.753  0.286  1.0
  Cr  Cr3  1  0.630  0.753  0.786  1.0
  Cr  Cr4  1  0.383  0.247  0.714  1.0
  Cr  Cr5  1  0.370  0.247  0.214  1.0
  O  O6  1  0.192  0.000  0.750  1.0
  O  O7  1  0.808  1.000  0.250  1.0
  O  O8  1  0.038  0.628  0.848  1.0
  O  O9  1  0.962  0.372  0.152  1.0
  O  O10  1  0.666  0.372  0.652  1.0
  O  O11  1  0.334  0.628  0.348  1.0
  O  O12  1  0.746  0.838  0.555  1.0
  O  O13  1  0.254  0.162  0.445  1.0
  O  O14  1  0.584  0.162  0.945  1.0
  O  O15  1  0.416  0.838  0.055  1.0
[/CIF]
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