The material structure described by Ba2MgYbRuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(2), one O(4), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Ba(2), one O(2), one O(4), and one O(5) atom. Yb(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 YbO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. 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 Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Yb(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Yb(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Yb(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_Ba2YbMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.606
_cell_length_b   6.628
_cell_length_c   6.629
_cell_angle_alpha   53.113
_cell_angle_beta   53.140
_cell_angle_gamma   53.148
_symmetry_Int_Tables_number   1
_cell_volume   172.232
_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  0.729  0.727  0.727  1.0
  Ba  Ba1  1  0.299  0.300  0.299  1.0
  Yb  Yb2  1  0.505  0.504  0.504  1.0
  Mg  Mg3  1  0.133  0.127  0.128  1.0
  Ru  Ru4  1  0.983  0.982  0.982  1.0
  O  O5  1  0.240  0.762  0.761  1.0
  O  O6  1  0.237  0.749  0.234  1.0
  O  O7  1  0.761  0.242  0.762  1.0
  O  O8  1  0.237  0.234  0.749  1.0
  O  O9  1  0.752  0.235  0.234  1.0
  O  O10  1  0.761  0.762  0.244  1.0
[/CIF]
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The material structure described by Ba2MgYbRuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(2), one O(4), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Ba(2), one O(2), one O(4), and one O(5) atom. Yb(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 YbO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. 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 Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Yb(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Yb(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Yb(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Yb(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_Ba2YbMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.606
_cell_length_b   6.628
_cell_length_c   6.629
_cell_angle_alpha   53.113
_cell_angle_beta   53.140
_cell_angle_gamma   53.148
_symmetry_Int_Tables_number   1
_cell_volume   172.232
_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  0.729  0.727  0.727  1.0
  Ba  Ba1  1  0.299  0.300  0.299  1.0
  Yb  Yb2  1  0.505  0.504  0.504  1.0
  Mg  Mg3  1  0.133  0.127  0.128  1.0
  Ru  Ru4  1  0.983  0.982  0.982  1.0
  O  O5  1  0.240  0.762  0.761  1.0
  O  O6  1  0.237  0.749  0.234  1.0
  O  O7  1  0.761  0.242  0.762  1.0
  O  O8  1  0.237  0.234  0.749  1.0
  O  O9  1  0.752  0.235  0.234  1.0
  O  O10  1  0.761  0.762  0.244  1.0
[/CIF]
.