The material structure described by Ba2MgYbRuO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(2) atoms. Yb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YbO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. 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 Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Yb(1), and one Ru(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom to form a mixture of distorted edge, corner, and face-sharing OBa2YbMgRu trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba2YbMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   6.337
_cell_length_c   6.337
_cell_angle_alpha   55.886
_cell_angle_beta   61.805
_cell_angle_gamma   61.805
_symmetry_Int_Tables_number   1
_cell_volume   168.209
_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
  Ba  Ba0  1  0.812  0.688  0.688  1.0
  Ba  Ba1  1  0.188  0.312  0.312  1.0
  Yb  Yb2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.500  1.000  0.000  1.0
  Ru  Ru4  1  0.000  1.000  0.000  1.0
  O  O5  1  0.215  0.785  0.785  1.0
  O  O6  1  0.253  0.769  0.231  1.0
  O  O7  1  0.747  0.231  0.769  1.0
  O  O8  1  0.253  0.231  0.769  1.0
  O  O9  1  0.785  0.215  0.215  1.0
  O  O10  1  0.747  0.769  0.231  1.0
[/CIF]
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The material structure described by Ba2MgYbRuO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(2) atoms. Yb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YbO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. 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 Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Yb(1), and one Ru(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom to form a mixture of distorted edge, corner, and face-sharing OBa2YbMgRu trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba2YbMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   6.337
_cell_length_c   6.337
_cell_angle_alpha   55.886
_cell_angle_beta   61.805
_cell_angle_gamma   61.805
_symmetry_Int_Tables_number   1
_cell_volume   168.209
_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
  Ba  Ba0  1  0.812  0.688  0.688  1.0
  Ba  Ba1  1  0.188  0.312  0.312  1.0
  Yb  Yb2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.500  1.000  0.000  1.0
  Ru  Ru4  1  0.000  1.000  0.000  1.0
  O  O5  1  0.215  0.785  0.785  1.0
  O  O6  1  0.253  0.769  0.231  1.0
  O  O7  1  0.747  0.231  0.769  1.0
  O  O8  1  0.253  0.231  0.769  1.0
  O  O9  1  0.785  0.215  0.215  1.0
  O  O10  1  0.747  0.769  0.231  1.0
[/CIF]
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