The material described by Gd2TiO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(3), three equivalent O(1), and three equivalent O(2) atoms to form distorted GdO7 hexagonal pyramids that share corners with two equivalent Ti(1)O4 tetrahedra, edges with six equivalent Gd(1)O7 hexagonal pyramids, and  an edgeedge with one Ti(1)O4 tetrahedra. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Ti(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form TiO4 tetrahedra that share corners with two equivalent Gd(1)O7 hexagonal pyramids and  an edgeedge with one Gd(1)O7 hexagonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Gd(2) and three equivalent Gd(1) atoms to form OGd4 tetrahedra that share  a cornercorner with one O(3)Gd3Ti tetrahedra, corners with four equivalent O(2)Gd4 tetrahedra,  an edgeedge with one O(2)Gd4 tetrahedra, and edges with two equivalent O(3)Gd3Ti tetrahedra. In the third O site, O(3) is bonded to one Gd(1), two equivalent Gd(2), and one Ti(1) atom to form distorted OGd3Ti tetrahedra that share  a cornercorner with one O(2)Gd4 tetrahedra, corners with two equivalent O(3)Gd3Ti tetrahedra, and edges with two equivalent O(2)Gd4 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Gd(2) and one Ti(1) atom. 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 card [CIF]
data_Gd2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.149
_cell_length_b   6.920
_cell_length_c   9.580
_cell_angle_alpha   76.474
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.756
_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  0.873  0.270  0.029  1.0
  Gd  Gd1  1  0.627  0.770  0.029  1.0
  Gd  Gd2  1  0.860  0.470  0.361  1.0
  Gd  Gd3  1  0.640  0.970  0.361  1.0
  Gd  Gd4  1  0.360  0.030  0.639  1.0
  Gd  Gd5  1  0.140  0.530  0.639  1.0
  Gd  Gd6  1  0.373  0.230  0.971  1.0
  Gd  Gd7  1  0.127  0.730  0.971  1.0
  Ti  Ti8  1  0.405  0.480  0.299  1.0
  Ti  Ti9  1  0.095  0.980  0.299  1.0
  Ti  Ti10  1  0.905  0.020  0.701  1.0
  Ti  Ti11  1  0.595  0.520  0.701  1.0
  O  O12  1  0.139  0.013  0.104  1.0
  O  O13  1  0.614  0.072  0.109  1.0
  O  O14  1  0.361  0.513  0.104  1.0
  O  O15  1  0.886  0.572  0.109  1.0
  O  O16  1  0.919  0.182  0.281  1.0
  O  O17  1  0.305  0.011  0.396  1.0
  O  O18  1  0.581  0.682  0.281  1.0
  O  O19  1  0.571  0.290  0.384  1.0
  O  O20  1  0.195  0.511  0.396  1.0
  O  O21  1  0.929  0.790  0.384  1.0
  O  O22  1  0.071  0.210  0.616  1.0
  O  O23  1  0.805  0.489  0.604  1.0
  O  O24  1  0.429  0.710  0.616  1.0
  O  O25  1  0.419  0.318  0.719  1.0
  O  O26  1  0.695  0.989  0.604  1.0
  O  O27  1  0.081  0.818  0.719  1.0
  O  O28  1  0.114  0.428  0.891  1.0
  O  O29  1  0.639  0.487  0.896  1.0
  O  O30  1  0.386  0.928  0.891  1.0
  O  O31  1  0.861  0.987  0.896  1.0
[/CIF]
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The material described by Gd2TiO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(3), three equivalent O(1), and three equivalent O(2) atoms to form distorted GdO7 hexagonal pyramids that share corners with two equivalent Ti(1)O4 tetrahedra, edges with six equivalent Gd(1)O7 hexagonal pyramids, and  an edgeedge with one Ti(1)O4 tetrahedra. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Ti(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form TiO4 tetrahedra that share corners with two equivalent Gd(1)O7 hexagonal pyramids and  an edgeedge with one Gd(1)O7 hexagonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Gd(2) and three equivalent Gd(1) atoms to form OGd4 tetrahedra that share  a cornercorner with one O(3)Gd3Ti tetrahedra, corners with four equivalent O(2)Gd4 tetrahedra,  an edgeedge with one O(2)Gd4 tetrahedra, and edges with two equivalent O(3)Gd3Ti tetrahedra. In the third O site, O(3) is bonded to one Gd(1), two equivalent Gd(2), and one Ti(1) atom to form distorted OGd3Ti tetrahedra that share  a cornercorner with one O(2)Gd4 tetrahedra, corners with two equivalent O(3)Gd3Ti tetrahedra, and edges with two equivalent O(2)Gd4 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Gd(2) and one Ti(1) atom. 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 card [CIF]
data_Gd2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.149
_cell_length_b   6.920
_cell_length_c   9.580
_cell_angle_alpha   76.474
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.756
_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  0.873  0.270  0.029  1.0
  Gd  Gd1  1  0.627  0.770  0.029  1.0
  Gd  Gd2  1  0.860  0.470  0.361  1.0
  Gd  Gd3  1  0.640  0.970  0.361  1.0
  Gd  Gd4  1  0.360  0.030  0.639  1.0
  Gd  Gd5  1  0.140  0.530  0.639  1.0
  Gd  Gd6  1  0.373  0.230  0.971  1.0
  Gd  Gd7  1  0.127  0.730  0.971  1.0
  Ti  Ti8  1  0.405  0.480  0.299  1.0
  Ti  Ti9  1  0.095  0.980  0.299  1.0
  Ti  Ti10  1  0.905  0.020  0.701  1.0
  Ti  Ti11  1  0.595  0.520  0.701  1.0
  O  O12  1  0.139  0.013  0.104  1.0
  O  O13  1  0.614  0.072  0.109  1.0
  O  O14  1  0.361  0.513  0.104  1.0
  O  O15  1  0.886  0.572  0.109  1.0
  O  O16  1  0.919  0.182  0.281  1.0
  O  O17  1  0.305  0.011  0.396  1.0
  O  O18  1  0.581  0.682  0.281  1.0
  O  O19  1  0.571  0.290  0.384  1.0
  O  O20  1  0.195  0.511  0.396  1.0
  O  O21  1  0.929  0.790  0.384  1.0
  O  O22  1  0.071  0.210  0.616  1.0
  O  O23  1  0.805  0.489  0.604  1.0
  O  O24  1  0.429  0.710  0.616  1.0
  O  O25  1  0.419  0.318  0.719  1.0
  O  O26  1  0.695  0.989  0.604  1.0
  O  O27  1  0.081  0.818  0.719  1.0
  O  O28  1  0.114  0.428  0.891  1.0
  O  O29  1  0.639  0.487  0.896  1.0
  O  O30  1  0.386  0.928  0.891  1.0
  O  O31  1  0.861  0.987  0.896  1.0
[/CIF]
.