The structure described by Ce2TiO5 crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent Ce(1) and two equivalent Ti(1) atoms to form distorted corner-sharing OCe2Ti2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.705
_cell_length_b   6.705
_cell_length_c   7.691
_cell_angle_alpha   67.153
_cell_angle_beta   67.153
_cell_angle_gamma   46.945
_symmetry_Int_Tables_number   1
_cell_volume   228.917
_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
  Ce  Ce0  1  0.665  0.617  0.732  1.0
  Ce  Ce1  1  0.617  0.665  0.232  1.0
  Ce  Ce2  1  0.383  0.335  0.768  1.0
  Ce  Ce3  1  0.335  0.383  0.268  1.0
  Ti  Ti4  1  0.000  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.988  0.679  0.639  1.0
  O  O7  1  0.679  0.988  0.139  1.0
  O  O8  1  0.389  0.752  0.541  1.0
  O  O9  1  0.847  0.153  0.750  1.0
  O  O10  1  0.248  0.611  0.959  1.0
  O  O11  1  0.752  0.389  0.041  1.0
  O  O12  1  0.153  0.847  0.250  1.0
  O  O13  1  0.611  0.248  0.459  1.0
  O  O14  1  0.321  0.012  0.861  1.0
  O  O15  1  0.012  0.321  0.361  1.0
[/CIF]
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The structure described by Ce2TiO5 crystallizes in the monoclinic C2/c space group. Ce(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent Ce(1) and two equivalent Ti(1) atoms to form distorted corner-sharing OCe2Ti2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.705
_cell_length_b   6.705
_cell_length_c   7.691
_cell_angle_alpha   67.153
_cell_angle_beta   67.153
_cell_angle_gamma   46.945
_symmetry_Int_Tables_number   1
_cell_volume   228.917
_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
  Ce  Ce0  1  0.665  0.617  0.732  1.0
  Ce  Ce1  1  0.617  0.665  0.232  1.0
  Ce  Ce2  1  0.383  0.335  0.768  1.0
  Ce  Ce3  1  0.335  0.383  0.268  1.0
  Ti  Ti4  1  0.000  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.988  0.679  0.639  1.0
  O  O7  1  0.679  0.988  0.139  1.0
  O  O8  1  0.389  0.752  0.541  1.0
  O  O9  1  0.847  0.153  0.750  1.0
  O  O10  1  0.248  0.611  0.959  1.0
  O  O11  1  0.752  0.389  0.041  1.0
  O  O12  1  0.153  0.847  0.250  1.0
  O  O13  1  0.611  0.248  0.459  1.0
  O  O14  1  0.321  0.012  0.861  1.0
  O  O15  1  0.012  0.321  0.361  1.0
[/CIF]
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