The compound described by Ba2MgYbSbO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mg(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. Yb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted YbO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Sb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Yb(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Yb(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2), one Yb(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), one Yb(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Ba2YbMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.818
_cell_length_b   6.112
_cell_length_c   6.112
_cell_angle_alpha   60.039
_cell_angle_beta   63.324
_cell_angle_gamma   63.323
_symmetry_Int_Tables_number   1
_cell_volume   188.642
_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  0.576  0.810  0.810  1.0
  Ba  Ba1  1  0.190  0.271  0.271  1.0
  Yb  Yb2  1  0.586  0.472  0.472  1.0
  Mg  Mg3  1  0.128  0.627  0.626  1.0
  Sb  Sb4  1  0.975  0.008  0.008  1.0
  O  O5  1  0.266  0.744  0.744  1.0
  O  O6  1  0.260  0.746  0.253  1.0
  O  O7  1  0.801  0.226  0.737  1.0
  O  O8  1  0.260  0.253  0.746  1.0
  O  O9  1  0.792  0.231  0.231  1.0
  O  O10  1  0.801  0.737  0.226  1.0
[/CIF]
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The compound described by Ba2MgYbSbO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mg(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. Yb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted YbO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Sb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Yb(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Yb(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2), one Yb(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), one Yb(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Ba2YbMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.818
_cell_length_b   6.112
_cell_length_c   6.112
_cell_angle_alpha   60.039
_cell_angle_beta   63.324
_cell_angle_gamma   63.323
_symmetry_Int_Tables_number   1
_cell_volume   188.642
_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  0.576  0.810  0.810  1.0
  Ba  Ba1  1  0.190  0.271  0.271  1.0
  Yb  Yb2  1  0.586  0.472  0.472  1.0
  Mg  Mg3  1  0.128  0.627  0.626  1.0
  Sb  Sb4  1  0.975  0.008  0.008  1.0
  O  O5  1  0.266  0.744  0.744  1.0
  O  O6  1  0.260  0.746  0.253  1.0
  O  O7  1  0.801  0.226  0.737  1.0
  O  O8  1  0.260  0.253  0.746  1.0
  O  O9  1  0.792  0.231  0.231  1.0
  O  O10  1  0.801  0.737  0.226  1.0
[/CIF]
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