The structure described by Gd2CuO4 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with twelve equivalent O(1)Gd4Cu2 octahedra, corners with four equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, and edges with four equivalent O(2)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the second O site, O(1) is bonded to four equivalent Gd(1) and two equivalent Cu(1) atoms to form distorted OGd4Cu2 octahedra that share corners with two equivalent O(1)Gd4Cu2 octahedra, corners with twelve equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, edges with two equivalent O(2)Gd4 tetrahedra, and faces with four equivalent O(1)Gd4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Gd2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   3.881
_cell_length_c   6.536
_cell_angle_alpha   107.273
_cell_angle_beta   107.273
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   89.359
_cell_formula_units_Z   1
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  0.650  0.650  0.300  1.0
  Gd  Gd1  1  0.350  0.350  0.700  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.250  0.750  0.500  1.0
  O  O6  1  0.750  0.250  0.500  1.0
[/CIF]
.
The structure described by Gd2CuO4 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with twelve equivalent O(1)Gd4Cu2 octahedra, corners with four equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, and edges with four equivalent O(2)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the second O site, O(1) is bonded to four equivalent Gd(1) and two equivalent Cu(1) atoms to form distorted OGd4Cu2 octahedra that share corners with two equivalent O(1)Gd4Cu2 octahedra, corners with twelve equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, edges with two equivalent O(2)Gd4 tetrahedra, and faces with four equivalent O(1)Gd4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Gd2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   3.881
_cell_length_c   6.536
_cell_angle_alpha   107.273
_cell_angle_beta   107.273
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   89.359
_cell_formula_units_Z   1
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  0.650  0.650  0.300  1.0
  Gd  Gd1  1  0.350  0.350  0.700  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.250  0.750  0.500  1.0
  O  O6  1  0.750  0.250  0.500  1.0
[/CIF]
.