The material structure described by Ce2TiO5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(1), one O(3), one O(7), two equivalent O(2), and two equivalent O(5) atoms to form distorted CeO7 hexagonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Ce(1)O7 hexagonal pyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one O(6), one O(7), two equivalent O(8), and three equivalent O(1) atoms. In the third Ce site, Ce(3) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(10) atoms. In the fourth Ce site, Ce(4) is bonded to one O(10), one O(4), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form distorted CeO7 hexagonal pyramids that share corners with three equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Ce(4)O7 hexagonal pyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Ce(1)O7 hexagonal pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Ce(4)O7 hexagonal pyramids. In the second Ti site, Ti(2) is bonded to one O(5), one O(8), one O(9), and two equivalent O(7) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Ce(4)O7 hexagonal pyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, and edges with two equivalent Ce(1)O7 hexagonal pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1) and three equivalent Ce(2) atoms to form OCe4 tetrahedra that share  a cornercorner with one O(3)Ce3Ti tetrahedra, corners with two equivalent O(5)Ce3Ti tetrahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with three equivalent O(6)Ce3Ti tetrahedra, corners with four equivalent O(8)Ce3Ti tetrahedra,  an edgeedge with one O(8)Ce3Ti tetrahedra, and edges with two equivalent O(1)Ce4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Ti(1) atom. In the third O site, O(3) is bonded to one Ce(1), two equivalent Ce(3), and one Ti(1) atom to form distorted OCe3Ti tetrahedra that share  a cornercorner with one O(6)Ce3Ti tetrahedra,  a cornercorner with one O(1)Ce4 tetrahedra, corners with two equivalent O(3)Ce3Ti tetrahedra, corners with four equivalent O(10)Ce4 tetrahedra,  an edgeedge with one O(10)Ce4 tetrahedra, and edges with two equivalent O(5)Ce3Ti tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ce(3), one Ce(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ce(3), two equivalent Ce(1), and one Ti(2) atom to form OCe3Ti tetrahedra that share  a cornercorner with one O(8)Ce3Ti tetrahedra, corners with two equivalent O(5)Ce3Ti tetrahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with three equivalent O(10)Ce4 tetrahedra, and edges with two equivalent O(3)Ce3Ti tetrahedra. In the sixth O site, O(6) is bonded to one Ce(2), two equivalent Ce(4), and one Ti(1) atom to form OCe3Ti tetrahedra that share  a cornercorner with one O(3)Ce3Ti tetrahedra, corners with two equivalent O(6)Ce3Ti tetrahedra, corners with two equivalent O(10)Ce4 tetrahedra, corners with three equivalent O(1)Ce4 tetrahedra, and edges with two equivalent O(8)Ce3Ti tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ce(1), one Ce(2), and two equivalent Ti(2) atoms. In the eighth O site, O(8) is bonded to one Ce(4), two equivalent Ce(2), and one Ti(2) atom to form distorted OCe3Ti tetrahedra that share  a cornercorner with one O(5)Ce3Ti tetrahedra,  a cornercorner with one O(10)Ce4 tetrahedra, corners with two equivalent O(8)Ce3Ti tetrahedra, corners with four equivalent O(1)Ce4 tetrahedra,  an edgeedge with one O(1)Ce4 tetrahedra, and edges with two equivalent O(6)Ce3Ti tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Ce(4) and one Ti(2) atom. In the tenth O site, O(10) is bonded to one Ce(4) and three equivalent Ce(3) atoms to form OCe4 tetrahedra that share  a cornercorner with one O(8)Ce3Ti tetrahedra, corners with two equivalent O(6)Ce3Ti tetrahedra, corners with two equivalent O(10)Ce4 tetrahedra, corners with three equivalent O(5)Ce3Ti tetrahedra, corners with four equivalent O(3)Ce3Ti tetrahedra,  an edgeedge with one O(3)Ce3Ti tetrahedra, and edges with two equivalent O(10)Ce4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   10.824
_cell_length_c   11.445
_cell_angle_alpha   90.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.918
_cell_formula_units_Z   4
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  0.250  0.102  0.281  1.0
  Ce  Ce1  1  0.250  0.137  0.940  1.0
  Ce  Ce2  1  0.750  0.363  0.441  1.0
  Ce  Ce3  1  0.750  0.398  0.781  1.0
  Ce  Ce4  1  0.250  0.602  0.219  1.0
  Ce  Ce5  1  0.250  0.637  0.559  1.0
  Ce  Ce6  1  0.750  0.863  0.060  1.0
  Ce  Ce7  1  0.750  0.898  0.719  1.0
  Ti  Ti8  1  0.250  0.186  0.625  1.0
  Ti  Ti9  1  0.750  0.313  0.124  1.0
  Ti  Ti10  1  0.250  0.687  0.876  1.0
  Ti  Ti11  1  0.750  0.814  0.375  1.0
  O  O12  1  0.750  0.007  0.897  1.0
  O  O13  1  0.250  0.027  0.664  1.0
  O  O14  1  0.250  0.225  0.462  1.0
  O  O15  1  0.750  0.234  0.621  1.0
  O  O16  1  0.750  0.228  0.270  1.0
  O  O17  1  0.250  0.271  0.771  1.0
  O  O18  1  0.250  0.266  0.120  1.0
  O  O19  1  0.750  0.274  0.962  1.0
  O  O20  1  0.750  0.473  0.163  1.0
  O  O21  1  0.250  0.493  0.396  1.0
  O  O22  1  0.750  0.507  0.604  1.0
  O  O23  1  0.250  0.527  0.837  1.0
  O  O24  1  0.250  0.726  0.038  1.0
  O  O25  1  0.750  0.734  0.880  1.0
  O  O26  1  0.750  0.729  0.229  1.0
  O  O27  1  0.250  0.772  0.730  1.0
  O  O28  1  0.250  0.766  0.379  1.0
  O  O29  1  0.750  0.775  0.538  1.0
  O  O30  1  0.750  0.973  0.336  1.0
  O  O31  1  0.250  0.993  0.103  1.0
[/CIF]
.
The material structure described by Ce2TiO5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(1), one O(3), one O(7), two equivalent O(2), and two equivalent O(5) atoms to form distorted CeO7 hexagonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Ce(1)O7 hexagonal pyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one O(6), one O(7), two equivalent O(8), and three equivalent O(1) atoms. In the third Ce site, Ce(3) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(10) atoms. In the fourth Ce site, Ce(4) is bonded to one O(10), one O(4), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form distorted CeO7 hexagonal pyramids that share corners with three equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Ce(4)O7 hexagonal pyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Ce(1)O7 hexagonal pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Ce(4)O7 hexagonal pyramids. In the second Ti site, Ti(2) is bonded to one O(5), one O(8), one O(9), and two equivalent O(7) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Ce(4)O7 hexagonal pyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, and edges with two equivalent Ce(1)O7 hexagonal pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1) and three equivalent Ce(2) atoms to form OCe4 tetrahedra that share  a cornercorner with one O(3)Ce3Ti tetrahedra, corners with two equivalent O(5)Ce3Ti tetrahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with three equivalent O(6)Ce3Ti tetrahedra, corners with four equivalent O(8)Ce3Ti tetrahedra,  an edgeedge with one O(8)Ce3Ti tetrahedra, and edges with two equivalent O(1)Ce4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Ti(1) atom. In the third O site, O(3) is bonded to one Ce(1), two equivalent Ce(3), and one Ti(1) atom to form distorted OCe3Ti tetrahedra that share  a cornercorner with one O(6)Ce3Ti tetrahedra,  a cornercorner with one O(1)Ce4 tetrahedra, corners with two equivalent O(3)Ce3Ti tetrahedra, corners with four equivalent O(10)Ce4 tetrahedra,  an edgeedge with one O(10)Ce4 tetrahedra, and edges with two equivalent O(5)Ce3Ti tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ce(3), one Ce(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ce(3), two equivalent Ce(1), and one Ti(2) atom to form OCe3Ti tetrahedra that share  a cornercorner with one O(8)Ce3Ti tetrahedra, corners with two equivalent O(5)Ce3Ti tetrahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with three equivalent O(10)Ce4 tetrahedra, and edges with two equivalent O(3)Ce3Ti tetrahedra. In the sixth O site, O(6) is bonded to one Ce(2), two equivalent Ce(4), and one Ti(1) atom to form OCe3Ti tetrahedra that share  a cornercorner with one O(3)Ce3Ti tetrahedra, corners with two equivalent O(6)Ce3Ti tetrahedra, corners with two equivalent O(10)Ce4 tetrahedra, corners with three equivalent O(1)Ce4 tetrahedra, and edges with two equivalent O(8)Ce3Ti tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ce(1), one Ce(2), and two equivalent Ti(2) atoms. In the eighth O site, O(8) is bonded to one Ce(4), two equivalent Ce(2), and one Ti(2) atom to form distorted OCe3Ti tetrahedra that share  a cornercorner with one O(5)Ce3Ti tetrahedra,  a cornercorner with one O(10)Ce4 tetrahedra, corners with two equivalent O(8)Ce3Ti tetrahedra, corners with four equivalent O(1)Ce4 tetrahedra,  an edgeedge with one O(1)Ce4 tetrahedra, and edges with two equivalent O(6)Ce3Ti tetrahedra. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Ce(4) and one Ti(2) atom. In the tenth O site, O(10) is bonded to one Ce(4) and three equivalent Ce(3) atoms to form OCe4 tetrahedra that share  a cornercorner with one O(8)Ce3Ti tetrahedra, corners with two equivalent O(6)Ce3Ti tetrahedra, corners with two equivalent O(10)Ce4 tetrahedra, corners with three equivalent O(5)Ce3Ti tetrahedra, corners with four equivalent O(3)Ce3Ti tetrahedra,  an edgeedge with one O(3)Ce3Ti tetrahedra, and edges with two equivalent O(10)Ce4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   10.824
_cell_length_c   11.445
_cell_angle_alpha   90.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.918
_cell_formula_units_Z   4
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  0.250  0.102  0.281  1.0
  Ce  Ce1  1  0.250  0.137  0.940  1.0
  Ce  Ce2  1  0.750  0.363  0.441  1.0
  Ce  Ce3  1  0.750  0.398  0.781  1.0
  Ce  Ce4  1  0.250  0.602  0.219  1.0
  Ce  Ce5  1  0.250  0.637  0.559  1.0
  Ce  Ce6  1  0.750  0.863  0.060  1.0
  Ce  Ce7  1  0.750  0.898  0.719  1.0
  Ti  Ti8  1  0.250  0.186  0.625  1.0
  Ti  Ti9  1  0.750  0.313  0.124  1.0
  Ti  Ti10  1  0.250  0.687  0.876  1.0
  Ti  Ti11  1  0.750  0.814  0.375  1.0
  O  O12  1  0.750  0.007  0.897  1.0
  O  O13  1  0.250  0.027  0.664  1.0
  O  O14  1  0.250  0.225  0.462  1.0
  O  O15  1  0.750  0.234  0.621  1.0
  O  O16  1  0.750  0.228  0.270  1.0
  O  O17  1  0.250  0.271  0.771  1.0
  O  O18  1  0.250  0.266  0.120  1.0
  O  O19  1  0.750  0.274  0.962  1.0
  O  O20  1  0.750  0.473  0.163  1.0
  O  O21  1  0.250  0.493  0.396  1.0
  O  O22  1  0.750  0.507  0.604  1.0
  O  O23  1  0.250  0.527  0.837  1.0
  O  O24  1  0.250  0.726  0.038  1.0
  O  O25  1  0.750  0.734  0.880  1.0
  O  O26  1  0.750  0.729  0.229  1.0
  O  O27  1  0.250  0.772  0.730  1.0
  O  O28  1  0.250  0.766  0.379  1.0
  O  O29  1  0.750  0.775  0.538  1.0
  O  O30  1  0.750  0.973  0.336  1.0
  O  O31  1  0.250  0.993  0.103  1.0
[/CIF]
.