The material described by Gd2TiCuO6 crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) 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 Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1), one Ti(1), and one Cu(1) atom to form distorted corner-sharing OGd2TiCu trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2TiCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.401
_cell_length_b   5.761
_cell_length_c   7.551
_cell_angle_alpha   90.000
_cell_angle_beta   89.604
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.945
_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  0.481  0.071  0.249  1.0
  Gd  Gd1  1  0.019  0.571  0.251  1.0
  Gd  Gd2  1  0.519  0.929  0.751  1.0
  Gd  Gd3  1  0.981  0.429  0.749  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.611  0.460  0.251  1.0
  O  O9  1  0.889  0.960  0.249  1.0
  O  O10  1  0.389  0.540  0.749  1.0
  O  O11  1  0.111  0.040  0.751  1.0
  O  O12  1  0.294  0.821  0.055  1.0
  O  O13  1  0.206  0.321  0.445  1.0
  O  O14  1  0.681  0.209  0.559  1.0
  O  O15  1  0.819  0.709  0.941  1.0
  O  O16  1  0.706  0.179  0.945  1.0
  O  O17  1  0.794  0.679  0.555  1.0
  O  O18  1  0.319  0.791  0.441  1.0
  O  O19  1  0.181  0.291  0.059  1.0
[/CIF]
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The material described by Gd2TiCuO6 crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) 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 Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1), one Ti(1), and one Cu(1) atom to form distorted corner-sharing OGd2TiCu trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Ti(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2TiCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.401
_cell_length_b   5.761
_cell_length_c   7.551
_cell_angle_alpha   90.000
_cell_angle_beta   89.604
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.945
_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  0.481  0.071  0.249  1.0
  Gd  Gd1  1  0.019  0.571  0.251  1.0
  Gd  Gd2  1  0.519  0.929  0.751  1.0
  Gd  Gd3  1  0.981  0.429  0.749  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.611  0.460  0.251  1.0
  O  O9  1  0.889  0.960  0.249  1.0
  O  O10  1  0.389  0.540  0.749  1.0
  O  O11  1  0.111  0.040  0.751  1.0
  O  O12  1  0.294  0.821  0.055  1.0
  O  O13  1  0.206  0.321  0.445  1.0
  O  O14  1  0.681  0.209  0.559  1.0
  O  O15  1  0.819  0.709  0.941  1.0
  O  O16  1  0.706  0.179  0.945  1.0
  O  O17  1  0.794  0.679  0.555  1.0
  O  O18  1  0.319  0.791  0.441  1.0
  O  O19  1  0.181  0.291  0.059  1.0
[/CIF]
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