The crystal structure described by Gd2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted GdO6 octahedra that share corners with two equivalent Gd(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Gd(2)O6 octahedra, and edges with four equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the second Gd site, Gd(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form GdO6 octahedra that share corners with two equivalent Gd(1)O6 octahedra, corners with two equivalent Gd(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Gd(1)O6 octahedra, and edges with two equivalent Gd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. Ti(1) is bonded to one O(3), one O(4), one O(5), and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Gd(1)O6 octahedra, corners with four equivalent Gd(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(3)Gd3Ti tetrahedra, corners with four equivalent O(4)Gd3Ti tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra,  an edgeedge with one O(4)Gd3Ti tetrahedra, and edges with two equivalent O(3)Gd3Ti tetrahedra. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Gd(1), two equivalent Gd(2), and one Ti(1) atom to form OGd3Ti tetrahedra that share corners with two equivalent O(3)Gd3Ti tetrahedra, corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(4)Gd3Ti tetrahedra, and edges with two equivalent O(1)Gd4 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Gd(1) and one Ti(1) atom to form OGd3Ti tetrahedra that share corners with two equivalent O(4)Gd3Ti tetrahedra, corners with four equivalent O(3)Gd3Ti tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with two equivalent O(4)Gd3Ti tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Gd(2) and one Ti(1) atom. is represented by the CIF file [CIF]
data_Gd2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.679
_cell_length_b   7.552
_cell_length_c   15.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.226
_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
  Gd  Gd0  1  0.750  0.611  0.082  1.0
  Gd  Gd1  1  0.750  0.654  0.739  1.0
  Gd  Gd2  1  0.250  0.846  0.239  1.0
  Gd  Gd3  1  0.250  0.889  0.582  1.0
  Gd  Gd4  1  0.750  0.111  0.418  1.0
  Gd  Gd5  1  0.750  0.154  0.761  1.0
  Gd  Gd6  1  0.250  0.346  0.261  1.0
  Gd  Gd7  1  0.250  0.389  0.918  1.0
  Ti  Ti8  1  0.750  0.616  0.423  1.0
  Ti  Ti9  1  0.250  0.884  0.923  1.0
  Ti  Ti10  1  0.750  0.116  0.077  1.0
  Ti  Ti11  1  0.250  0.384  0.577  1.0
  O  O12  1  0.250  0.577  0.173  1.0
  O  O13  1  0.250  0.577  0.453  1.0
  O  O14  1  0.250  0.614  0.648  1.0
  O  O15  1  0.250  0.660  0.993  1.0
  O  O16  1  0.750  0.747  0.325  1.0
  O  O17  1  0.250  0.753  0.825  1.0
  O  O18  1  0.750  0.840  0.493  1.0
  O  O19  1  0.750  0.886  0.148  1.0
  O  O20  1  0.750  0.923  0.953  1.0
  O  O21  1  0.750  0.923  0.673  1.0
  O  O22  1  0.250  0.077  0.327  1.0
  O  O23  1  0.250  0.077  0.047  1.0
  O  O24  1  0.250  0.114  0.852  1.0
  O  O25  1  0.250  0.160  0.507  1.0
  O  O26  1  0.750  0.247  0.175  1.0
  O  O27  1  0.250  0.253  0.675  1.0
  O  O28  1  0.750  0.340  0.007  1.0
  O  O29  1  0.750  0.386  0.352  1.0
  O  O30  1  0.750  0.423  0.547  1.0
  O  O31  1  0.750  0.423  0.827  1.0
[/CIF]
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The crystal structure described by Gd2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted GdO6 octahedra that share corners with two equivalent Gd(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Gd(2)O6 octahedra, and edges with four equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the second Gd site, Gd(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form GdO6 octahedra that share corners with two equivalent Gd(1)O6 octahedra, corners with two equivalent Gd(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Gd(1)O6 octahedra, and edges with two equivalent Gd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. Ti(1) is bonded to one O(3), one O(4), one O(5), and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Gd(1)O6 octahedra, corners with four equivalent Gd(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(3)Gd3Ti tetrahedra, corners with four equivalent O(4)Gd3Ti tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra,  an edgeedge with one O(4)Gd3Ti tetrahedra, and edges with two equivalent O(3)Gd3Ti tetrahedra. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Gd(1), two equivalent Gd(2), and one Ti(1) atom to form OGd3Ti tetrahedra that share corners with two equivalent O(3)Gd3Ti tetrahedra, corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(4)Gd3Ti tetrahedra, and edges with two equivalent O(1)Gd4 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Gd(1) and one Ti(1) atom to form OGd3Ti tetrahedra that share corners with two equivalent O(4)Gd3Ti tetrahedra, corners with four equivalent O(3)Gd3Ti tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with two equivalent O(4)Gd3Ti tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Gd(2) and one Ti(1) atom. is represented by the CIF file [CIF]
data_Gd2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.679
_cell_length_b   7.552
_cell_length_c   15.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.226
_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
  Gd  Gd0  1  0.750  0.611  0.082  1.0
  Gd  Gd1  1  0.750  0.654  0.739  1.0
  Gd  Gd2  1  0.250  0.846  0.239  1.0
  Gd  Gd3  1  0.250  0.889  0.582  1.0
  Gd  Gd4  1  0.750  0.111  0.418  1.0
  Gd  Gd5  1  0.750  0.154  0.761  1.0
  Gd  Gd6  1  0.250  0.346  0.261  1.0
  Gd  Gd7  1  0.250  0.389  0.918  1.0
  Ti  Ti8  1  0.750  0.616  0.423  1.0
  Ti  Ti9  1  0.250  0.884  0.923  1.0
  Ti  Ti10  1  0.750  0.116  0.077  1.0
  Ti  Ti11  1  0.250  0.384  0.577  1.0
  O  O12  1  0.250  0.577  0.173  1.0
  O  O13  1  0.250  0.577  0.453  1.0
  O  O14  1  0.250  0.614  0.648  1.0
  O  O15  1  0.250  0.660  0.993  1.0
  O  O16  1  0.750  0.747  0.325  1.0
  O  O17  1  0.250  0.753  0.825  1.0
  O  O18  1  0.750  0.840  0.493  1.0
  O  O19  1  0.750  0.886  0.148  1.0
  O  O20  1  0.750  0.923  0.953  1.0
  O  O21  1  0.750  0.923  0.673  1.0
  O  O22  1  0.250  0.077  0.327  1.0
  O  O23  1  0.250  0.077  0.047  1.0
  O  O24  1  0.250  0.114  0.852  1.0
  O  O25  1  0.250  0.160  0.507  1.0
  O  O26  1  0.750  0.247  0.175  1.0
  O  O27  1  0.250  0.253  0.675  1.0
  O  O28  1  0.750  0.340  0.007  1.0
  O  O29  1  0.750  0.386  0.352  1.0
  O  O30  1  0.750  0.423  0.547  1.0
  O  O31  1  0.750  0.423  0.827  1.0
[/CIF]
.