The material described by Sr2MgGdRuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted SrO6 octahedra that share corners with three equivalent Gd(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and  a faceface with one Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-65°. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Gd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted GdO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra, corners with six equivalent Ru(1)O6 octahedra, and  a faceface with one Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-65°. Ru(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted RuO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra and edges with three equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr2GdMgRu trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr2GdMgRu trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Gd(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr2GdMgRu trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GdMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.414
_cell_length_b   5.817
_cell_length_c   5.749
_cell_angle_alpha   60.254
_cell_angle_beta   62.795
_cell_angle_gamma   63.667
_symmetry_Int_Tables_number   1
_cell_volume   158.985
_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  0.446  0.192  0.159  1.0
  Sr  Sr1  1  0.827  0.730  0.692  1.0
  Gd  Gd2  1  0.037  0.992  0.964  1.0
  Mg  Mg3  1  0.927  0.381  0.298  1.0
  Ru  Ru4  1  0.444  0.525  0.501  1.0
  O  O5  1  0.172  0.323  0.894  1.0
  O  O6  1  0.720  0.751  0.151  1.0
  O  O7  1  0.722  0.190  0.329  1.0
  O  O8  1  0.724  0.363  0.695  1.0
  O  O9  1  0.215  0.873  0.591  1.0
  O  O10  1  0.199  0.613  0.283  1.0
[/CIF]
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The material described by Sr2MgGdRuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted SrO6 octahedra that share corners with three equivalent Gd(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and  a faceface with one Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-65°. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Gd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted GdO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra, corners with six equivalent Ru(1)O6 octahedra, and  a faceface with one Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-65°. Ru(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted RuO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra and edges with three equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr2GdMgRu trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr2GdMgRu trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Gd(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Mg(1), one Gd(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr2GdMgRu trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2GdMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.414
_cell_length_b   5.817
_cell_length_c   5.749
_cell_angle_alpha   60.254
_cell_angle_beta   62.795
_cell_angle_gamma   63.667
_symmetry_Int_Tables_number   1
_cell_volume   158.985
_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  0.446  0.192  0.159  1.0
  Sr  Sr1  1  0.827  0.730  0.692  1.0
  Gd  Gd2  1  0.037  0.992  0.964  1.0
  Mg  Mg3  1  0.927  0.381  0.298  1.0
  Ru  Ru4  1  0.444  0.525  0.501  1.0
  O  O5  1  0.172  0.323  0.894  1.0
  O  O6  1  0.720  0.751  0.151  1.0
  O  O7  1  0.722  0.190  0.329  1.0
  O  O8  1  0.724  0.363  0.695  1.0
  O  O9  1  0.215  0.873  0.591  1.0
  O  O10  1  0.199  0.613  0.283  1.0
[/CIF]
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