The structure described by RuSr2GdCu2O8 crystallizes in the tetragonal P4/mbm space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 30°. Cu(1) is bonded to one O(1) and four equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Ru(1)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Ru(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuRu octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Sr2GdCu2RuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   5.472
_cell_length_c   11.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.607
_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
  Sr  Sr0  1  0.500  0.000  0.810  1.0
  Sr  Sr1  1  0.000  0.500  0.190  1.0
  Sr  Sr2  1  0.500  0.000  0.190  1.0
  Sr  Sr3  1  0.000  0.500  0.810  1.0
  Gd  Gd4  1  0.500  0.000  0.500  1.0
  Gd  Gd5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.643  1.0
  Cu  Cu7  1  0.000  0.000  0.357  1.0
  Cu  Cu8  1  0.500  0.500  0.357  1.0
  Cu  Cu9  1  0.000  0.000  0.643  1.0
  Ru  Ru10  1  0.500  0.500  0.000  1.0
  Ru  Ru11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.500  0.500  0.833  1.0
  O  O13  1  0.000  0.000  0.167  1.0
  O  O14  1  0.500  0.500  0.167  1.0
  O  O15  1  0.000  0.000  0.833  1.0
  O  O16  1  0.817  0.317  0.000  1.0
  O  O17  1  0.183  0.683  0.000  1.0
  O  O18  1  0.317  0.183  0.000  1.0
  O  O19  1  0.683  0.817  0.000  1.0
  O  O20  1  0.750  0.250  0.373  1.0
  O  O21  1  0.250  0.750  0.373  1.0
  O  O22  1  0.250  0.250  0.627  1.0
  O  O23  1  0.750  0.750  0.627  1.0
  O  O24  1  0.250  0.750  0.627  1.0
  O  O25  1  0.750  0.250  0.627  1.0
  O  O26  1  0.750  0.750  0.373  1.0
  O  O27  1  0.250  0.250  0.373  1.0
[/CIF]
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The structure described by RuSr2GdCu2O8 crystallizes in the tetragonal P4/mbm space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 30°. Cu(1) is bonded to one O(1) and four equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Ru(1)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Ru(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuRu octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Sr2GdCu2RuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   5.472
_cell_length_c   11.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.607
_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
  Sr  Sr0  1  0.500  0.000  0.810  1.0
  Sr  Sr1  1  0.000  0.500  0.190  1.0
  Sr  Sr2  1  0.500  0.000  0.190  1.0
  Sr  Sr3  1  0.000  0.500  0.810  1.0
  Gd  Gd4  1  0.500  0.000  0.500  1.0
  Gd  Gd5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.643  1.0
  Cu  Cu7  1  0.000  0.000  0.357  1.0
  Cu  Cu8  1  0.500  0.500  0.357  1.0
  Cu  Cu9  1  0.000  0.000  0.643  1.0
  Ru  Ru10  1  0.500  0.500  0.000  1.0
  Ru  Ru11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.500  0.500  0.833  1.0
  O  O13  1  0.000  0.000  0.167  1.0
  O  O14  1  0.500  0.500  0.167  1.0
  O  O15  1  0.000  0.000  0.833  1.0
  O  O16  1  0.817  0.317  0.000  1.0
  O  O17  1  0.183  0.683  0.000  1.0
  O  O18  1  0.317  0.183  0.000  1.0
  O  O19  1  0.683  0.817  0.000  1.0
  O  O20  1  0.750  0.250  0.373  1.0
  O  O21  1  0.250  0.750  0.373  1.0
  O  O22  1  0.250  0.250  0.627  1.0
  O  O23  1  0.750  0.750  0.627  1.0
  O  O24  1  0.250  0.750  0.627  1.0
  O  O25  1  0.750  0.250  0.627  1.0
  O  O26  1  0.750  0.750  0.373  1.0
  O  O27  1  0.250  0.250  0.373  1.0
[/CIF]
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