The material structure described by IrSr2GdCu2O8 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, faces with five equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ir(1)O6 octahedra, and faces with four equivalent Cu(1)O5 square pyramids. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ir(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form IrO6 octahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Ir(1)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ir(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuIr octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Sr2GdCu2IrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.877
_cell_length_b   3.877
_cell_length_c   11.865
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.140
_symmetry_Int_Tables_number   1
_cell_volume   178.304
_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
  Sr  Sr0  1  0.507  0.507  0.695  1.0
  Sr  Sr1  1  0.507  0.507  0.305  1.0
  Gd  Gd2  1  0.501  0.501  0.000  1.0
  Cu  Cu3  1  0.001  0.001  0.859  1.0
  Cu  Cu4  1  0.001  0.001  0.141  1.0
  Ir  Ir5  1  0.990  0.990  0.500  1.0
  O  O6  1  0.002  0.501  0.874  1.0
  O  O7  1  0.501  0.002  0.874  1.0
  O  O8  1  0.002  0.501  0.126  1.0
  O  O9  1  0.501  0.002  0.126  1.0
  O  O10  1  0.996  0.996  0.671  1.0
  O  O11  1  0.996  0.996  0.329  1.0
  O  O12  1  0.953  0.485  0.500  1.0
  O  O13  1  0.485  0.953  0.500  1.0
[/CIF]
.
The material structure described by IrSr2GdCu2O8 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, faces with five equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ir(1)O6 octahedra, and faces with four equivalent Cu(1)O5 square pyramids. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ir(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form IrO6 octahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Ir(1)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ir(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuIr octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Sr2GdCu2IrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.877
_cell_length_b   3.877
_cell_length_c   11.865
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.140
_symmetry_Int_Tables_number   1
_cell_volume   178.304
_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
  Sr  Sr0  1  0.507  0.507  0.695  1.0
  Sr  Sr1  1  0.507  0.507  0.305  1.0
  Gd  Gd2  1  0.501  0.501  0.000  1.0
  Cu  Cu3  1  0.001  0.001  0.859  1.0
  Cu  Cu4  1  0.001  0.001  0.141  1.0
  Ir  Ir5  1  0.990  0.990  0.500  1.0
  O  O6  1  0.002  0.501  0.874  1.0
  O  O7  1  0.501  0.002  0.874  1.0
  O  O8  1  0.002  0.501  0.126  1.0
  O  O9  1  0.501  0.002  0.126  1.0
  O  O10  1  0.996  0.996  0.671  1.0
  O  O11  1  0.996  0.996  0.329  1.0
  O  O12  1  0.953  0.485  0.500  1.0
  O  O13  1  0.485  0.953  0.500  1.0
[/CIF]
.