The compound 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 Ti(1)O6 octahedra and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. 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 card [CIF]
data_Yb2MgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   5.980
_cell_angle_alpha   53.625
_cell_angle_beta   53.625
_cell_angle_gamma   53.625
_symmetry_Int_Tables_number   1
_cell_volume   128.663
_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  0.367  0.367  0.367  1.0
  Yb  Yb1  1  0.633  0.633  0.633  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Ti  Ti3  1  0.174  0.174  0.174  1.0
  Ti  Ti4  1  0.826  0.826  0.826  1.0
  O  O5  1  0.026  0.812  0.414  1.0
  O  O6  1  0.414  0.026  0.812  1.0
  O  O7  1  0.812  0.414  0.026  1.0
  O  O8  1  0.188  0.586  0.974  1.0
  O  O9  1  0.586  0.974  0.188  1.0
  O  O10  1  0.974  0.188  0.586  1.0
[/CIF]
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The compound 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 Ti(1)O6 octahedra and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. 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 card [CIF]
data_Yb2MgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   5.980
_cell_angle_alpha   53.625
_cell_angle_beta   53.625
_cell_angle_gamma   53.625
_symmetry_Int_Tables_number   1
_cell_volume   128.663
_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  0.367  0.367  0.367  1.0
  Yb  Yb1  1  0.633  0.633  0.633  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Ti  Ti3  1  0.174  0.174  0.174  1.0
  Ti  Ti4  1  0.826  0.826  0.826  1.0
  O  O5  1  0.026  0.812  0.414  1.0
  O  O6  1  0.414  0.026  0.812  1.0
  O  O7  1  0.812  0.414  0.026  1.0
  O  O8  1  0.188  0.586  0.974  1.0
  O  O9  1  0.586  0.974  0.188  1.0
  O  O10  1  0.974  0.188  0.586  1.0
[/CIF]
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