The structure described by MgYb2Ti2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. Yb(1) is bonded to six equivalent O(1) atoms to form distorted YbO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Yb(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent Yb(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. O(1) is bonded to one Mg(1), two equivalent Yb(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing OYb2MgTi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Yb2MgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   6.238
_cell_angle_alpha   49.845
_cell_angle_beta   49.845
_cell_angle_gamma   49.845
_symmetry_Int_Tables_number   1
_cell_volume   130.437
_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
  Yb  Yb0  1  0.330  0.330  0.330  1.0
  Yb  Yb1  1  0.670  0.670  0.670  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  0.152  0.152  0.152  1.0
  Ti  Ti4  1  0.848  0.848  0.848  1.0
  O  O5  1  0.091  0.753  0.445  1.0
  O  O6  1  0.445  0.091  0.753  1.0
  O  O7  1  0.753  0.445  0.091  1.0
  O  O8  1  0.247  0.555  0.909  1.0
  O  O9  1  0.555  0.909  0.247  1.0
  O  O10  1  0.909  0.247  0.555  1.0
[/CIF]
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The structure described by MgYb2Ti2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. Yb(1) is bonded to six equivalent O(1) atoms to form distorted YbO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Yb(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent Yb(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. O(1) is bonded to one Mg(1), two equivalent Yb(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing OYb2MgTi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Yb2MgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   6.238
_cell_angle_alpha   49.845
_cell_angle_beta   49.845
_cell_angle_gamma   49.845
_symmetry_Int_Tables_number   1
_cell_volume   130.437
_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
  Yb  Yb0  1  0.330  0.330  0.330  1.0
  Yb  Yb1  1  0.670  0.670  0.670  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  0.152  0.152  0.152  1.0
  Ti  Ti4  1  0.848  0.848  0.848  1.0
  O  O5  1  0.091  0.753  0.445  1.0
  O  O6  1  0.445  0.091  0.753  1.0
  O  O7  1  0.753  0.445  0.091  1.0
  O  O8  1  0.247  0.555  0.909  1.0
  O  O9  1  0.555  0.909  0.247  1.0
  O  O10  1  0.909  0.247  0.555  1.0
[/CIF]
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