The compound described by Gd2Ti2O7 crystallizes in the cubic Fd-3m space group. Gd(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted GdO8 hexagonal bipyramids that share edges with six equivalent Gd(1)O8 hexagonal bipyramids and edges with six equivalent Ti(1)O6 octahedra. Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and edges with six equivalent Gd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with four equivalent O(1)Gd4 tetrahedra, corners with twelve equivalent O(2)Gd2Ti2 tetrahedra, and edges with six equivalent O(2)Gd2Ti2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Gd(1) and two equivalent Ti(1) atoms to form distorted OGd2Ti2 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with twelve equivalent O(2)Gd2Ti2 tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with four equivalent O(2)Gd2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.203
_cell_length_b   7.203
_cell_length_c   7.203
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   264.275
_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
  Gd  Gd0  1  0.625  0.625  0.125  1.0
  Gd  Gd1  1  0.625  0.125  0.625  1.0
  Gd  Gd2  1  0.125  0.625  0.625  1.0
  Gd  Gd3  1  0.625  0.625  0.625  1.0
  Ti  Ti4  1  0.125  0.125  0.625  1.0
  Ti  Ti5  1  0.125  0.625  0.125  1.0
  Ti  Ti6  1  0.625  0.125  0.125  1.0
  Ti  Ti7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.750  0.750  0.750  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.047  0.453  0.047  1.0
  O  O11  1  0.797  0.203  0.797  1.0
  O  O12  1  0.047  0.047  0.453  1.0
  O  O13  1  0.453  0.047  0.047  1.0
  O  O14  1  0.047  0.453  0.453  1.0
  O  O15  1  0.453  0.453  0.047  1.0
  O  O16  1  0.453  0.047  0.453  1.0
  O  O17  1  0.203  0.797  0.797  1.0
  O  O18  1  0.797  0.203  0.203  1.0
  O  O19  1  0.203  0.797  0.203  1.0
  O  O20  1  0.797  0.797  0.203  1.0
  O  O21  1  0.203  0.203  0.797  1.0
[/CIF]
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The compound described by Gd2Ti2O7 crystallizes in the cubic Fd-3m space group. Gd(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted GdO8 hexagonal bipyramids that share edges with six equivalent Gd(1)O8 hexagonal bipyramids and edges with six equivalent Ti(1)O6 octahedra. Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and edges with six equivalent Gd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with four equivalent O(1)Gd4 tetrahedra, corners with twelve equivalent O(2)Gd2Ti2 tetrahedra, and edges with six equivalent O(2)Gd2Ti2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Gd(1) and two equivalent Ti(1) atoms to form distorted OGd2Ti2 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with twelve equivalent O(2)Gd2Ti2 tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with four equivalent O(2)Gd2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.203
_cell_length_b   7.203
_cell_length_c   7.203
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   264.275
_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
  Gd  Gd0  1  0.625  0.625  0.125  1.0
  Gd  Gd1  1  0.625  0.125  0.625  1.0
  Gd  Gd2  1  0.125  0.625  0.625  1.0
  Gd  Gd3  1  0.625  0.625  0.625  1.0
  Ti  Ti4  1  0.125  0.125  0.625  1.0
  Ti  Ti5  1  0.125  0.625  0.125  1.0
  Ti  Ti6  1  0.625  0.125  0.125  1.0
  Ti  Ti7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.750  0.750  0.750  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.047  0.453  0.047  1.0
  O  O11  1  0.797  0.203  0.797  1.0
  O  O12  1  0.047  0.047  0.453  1.0
  O  O13  1  0.453  0.047  0.047  1.0
  O  O14  1  0.047  0.453  0.453  1.0
  O  O15  1  0.453  0.453  0.047  1.0
  O  O16  1  0.453  0.047  0.453  1.0
  O  O17  1  0.203  0.797  0.797  1.0
  O  O18  1  0.797  0.203  0.203  1.0
  O  O19  1  0.203  0.797  0.203  1.0
  O  O20  1  0.797  0.797  0.203  1.0
  O  O21  1  0.203  0.203  0.797  1.0
[/CIF]
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