The material structure described by Sr2MgGdRuCu2O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) 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(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one Ru(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms to form a mixture of corner, face, and edge-sharing OSr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GdMgCu2RuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.977
_cell_length_b   3.977
_cell_length_c   12.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.765
_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  0.500  0.500  0.756  1.0
  Sr  Sr1  1  0.500  0.500  0.244  1.0
  Gd  Gd2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.615  1.0
  Cu  Cu5  1  0.000  0.000  0.385  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.000  0.000  0.842  1.0
  O  O10  1  0.000  0.000  0.158  1.0
  O  O11  1  0.500  0.000  0.617  1.0
  O  O12  1  0.000  0.500  0.617  1.0
  O  O13  1  0.500  0.000  0.383  1.0
  O  O14  1  0.000  0.500  0.383  1.0
[/CIF]
.
The material structure described by Sr2MgGdRuCu2O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) 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(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one Ru(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(1) atoms to form a mixture of corner, face, and edge-sharing OSr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GdMgCu2RuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.977
_cell_length_b   3.977
_cell_length_c   12.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.765
_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  0.500  0.500  0.756  1.0
  Sr  Sr1  1  0.500  0.500  0.244  1.0
  Gd  Gd2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.615  1.0
  Cu  Cu5  1  0.000  0.000  0.385  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.000  0.000  0.842  1.0
  O  O10  1  0.000  0.000  0.158  1.0
  O  O11  1  0.500  0.000  0.617  1.0
  O  O12  1  0.000  0.500  0.617  1.0
  O  O13  1  0.500  0.000  0.383  1.0
  O  O14  1  0.000  0.500  0.383  1.0
[/CIF]
.