The material structure described by Gd2ZnTiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three 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 TiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded to two equivalent Gd(1), one Ti(1), and one Zn(1) atom to form distorted corner-sharing OGd2TiZn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2TiZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.399
_cell_length_c   9.389
_cell_angle_alpha   55.474
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.307
_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  0.431  0.770  0.748  1.0
  Gd  Gd1  1  0.069  0.770  0.248  1.0
  Gd  Gd2  1  0.569  0.230  0.252  1.0
  Gd  Gd3  1  0.931  0.230  0.752  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.817  0.149  0.054  1.0
  O  O9  1  0.683  0.149  0.554  1.0
  O  O10  1  0.183  0.851  0.946  1.0
  O  O11  1  0.317  0.851  0.446  1.0
  O  O12  1  0.292  0.258  0.061  1.0
  O  O13  1  0.208  0.258  0.561  1.0
  O  O14  1  0.708  0.742  0.939  1.0
  O  O15  1  0.792  0.742  0.439  1.0
  O  O16  1  0.041  0.629  0.758  1.0
  O  O17  1  0.459  0.629  0.258  1.0
  O  O18  1  0.959  0.371  0.242  1.0
  O  O19  1  0.541  0.371  0.742  1.0
[/CIF]
.
The material structure described by Gd2ZnTiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three 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 TiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded to two equivalent Gd(1), one Ti(1), and one Zn(1) atom to form distorted corner-sharing OGd2TiZn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2TiZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.399
_cell_length_c   9.389
_cell_angle_alpha   55.474
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.307
_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  0.431  0.770  0.748  1.0
  Gd  Gd1  1  0.069  0.770  0.248  1.0
  Gd  Gd2  1  0.569  0.230  0.252  1.0
  Gd  Gd3  1  0.931  0.230  0.752  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.817  0.149  0.054  1.0
  O  O9  1  0.683  0.149  0.554  1.0
  O  O10  1  0.183  0.851  0.946  1.0
  O  O11  1  0.317  0.851  0.446  1.0
  O  O12  1  0.292  0.258  0.061  1.0
  O  O13  1  0.208  0.258  0.561  1.0
  O  O14  1  0.708  0.742  0.939  1.0
  O  O15  1  0.792  0.742  0.439  1.0
  O  O16  1  0.041  0.629  0.758  1.0
  O  O17  1  0.459  0.629  0.258  1.0
  O  O18  1  0.959  0.371  0.242  1.0
  O  O19  1  0.541  0.371  0.742  1.0
[/CIF]
.