The crystal structure described by Ba2MgYbSbO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra and faces with four equivalent Yb(1)O6 octahedra. Mg(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. Yb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form YbO6 octahedra that share faces with four equivalent Ba(2)O12 cuboctahedra. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Yb(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(2), one Yb(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Ba2YbMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.886
_cell_length_b   6.886
_cell_length_c   6.885
_cell_angle_alpha   53.291
_cell_angle_beta   53.290
_cell_angle_gamma   53.283
_symmetry_Int_Tables_number   1
_cell_volume   194.583
_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  0.692  0.692  0.691  1.0
  Ba  Ba1  1  0.255  0.255  0.254  1.0
  Yb  Yb2  1  0.496  0.496  0.496  1.0
  Mg  Mg3  1  0.883  0.883  0.883  1.0
  Sb  Sb4  1  0.036  0.036  0.036  1.0
  O  O5  1  0.256  0.748  0.747  1.0
  O  O6  1  0.248  0.759  0.249  1.0
  O  O7  1  0.748  0.256  0.747  1.0
  O  O8  1  0.249  0.249  0.760  1.0
  O  O9  1  0.759  0.248  0.249  1.0
  O  O10  1  0.748  0.748  0.256  1.0
[/CIF]
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The crystal structure described by Ba2MgYbSbO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra and faces with four equivalent Yb(1)O6 octahedra. Mg(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. Yb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form YbO6 octahedra that share faces with four equivalent Ba(2)O12 cuboctahedra. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Yb(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(2), one Yb(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Ba2YbMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.886
_cell_length_b   6.886
_cell_length_c   6.885
_cell_angle_alpha   53.291
_cell_angle_beta   53.290
_cell_angle_gamma   53.283
_symmetry_Int_Tables_number   1
_cell_volume   194.583
_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  0.692  0.692  0.691  1.0
  Ba  Ba1  1  0.255  0.255  0.254  1.0
  Yb  Yb2  1  0.496  0.496  0.496  1.0
  Mg  Mg3  1  0.883  0.883  0.883  1.0
  Sb  Sb4  1  0.036  0.036  0.036  1.0
  O  O5  1  0.256  0.748  0.747  1.0
  O  O6  1  0.248  0.759  0.249  1.0
  O  O7  1  0.748  0.256  0.747  1.0
  O  O8  1  0.249  0.249  0.760  1.0
  O  O9  1  0.759  0.248  0.249  1.0
  O  O10  1  0.748  0.748  0.256  1.0
[/CIF]
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