The crystal structure described by Sr2GdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 5-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Gd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GdO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Gd(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Gd(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sr2GdRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   5.873
_cell_angle_alpha   60.364
_cell_angle_beta   60.364
_cell_angle_gamma   60.270
_symmetry_Int_Tables_number   1
_cell_volume   139.095
_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  0.246  0.246  0.265  1.0
  Sr  Sr1  1  0.754  0.754  0.735  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Ru  Ru3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.270  0.270  0.814  1.0
  O  O5  1  0.730  0.730  0.186  1.0
  O  O6  1  0.689  0.217  0.317  1.0
  O  O7  1  0.783  0.311  0.683  1.0
  O  O8  1  0.311  0.783  0.683  1.0
  O  O9  1  0.217  0.689  0.317  1.0
[/CIF]
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The crystal structure described by Sr2GdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 5-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Gd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GdO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Gd(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Gd(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sr2GdRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   5.873
_cell_angle_alpha   60.364
_cell_angle_beta   60.364
_cell_angle_gamma   60.270
_symmetry_Int_Tables_number   1
_cell_volume   139.095
_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  0.246  0.246  0.265  1.0
  Sr  Sr1  1  0.754  0.754  0.735  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Ru  Ru3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.270  0.270  0.814  1.0
  O  O5  1  0.730  0.730  0.186  1.0
  O  O6  1  0.689  0.217  0.317  1.0
  O  O7  1  0.783  0.311  0.683  1.0
  O  O8  1  0.311  0.783  0.683  1.0
  O  O9  1  0.217  0.689  0.317  1.0
[/CIF]
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