The structure described by MgYb2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Yb(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Yb(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Yb(1), and one Ti(1) atom. is represented by the CIF card [CIF]
data_Yb2MgTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.354
_cell_length_c   9.208
_cell_angle_alpha   55.878
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.666
_cell_formula_units_Z   2
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  0.065  0.723  0.755  1.0
  Yb  Yb1  1  0.935  0.277  0.245  1.0
  Yb  Yb2  1  0.565  0.277  0.745  1.0
  Yb  Yb3  1  0.435  0.723  0.255  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.500  0.500  1.0
  Ti  Ti6  1  0.500  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.467  0.857  0.745  1.0
  O  O9  1  0.533  0.143  0.255  1.0
  O  O10  1  0.967  0.143  0.755  1.0
  O  O11  1  0.033  0.857  0.245  1.0
  O  O12  1  0.783  0.750  0.557  1.0
  O  O13  1  0.217  0.250  0.443  1.0
  O  O14  1  0.283  0.250  0.943  1.0
  O  O15  1  0.717  0.750  0.057  1.0
  O  O16  1  0.302  0.660  0.547  1.0
  O  O17  1  0.698  0.340  0.453  1.0
  O  O18  1  0.802  0.340  0.953  1.0
  O  O19  1  0.198  0.660  0.047  1.0
[/CIF]
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The structure described by MgYb2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Yb(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Yb(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Yb(1), and one Ti(1) atom. is represented by the CIF card [CIF]
data_Yb2MgTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.354
_cell_length_c   9.208
_cell_angle_alpha   55.878
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.666
_cell_formula_units_Z   2
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  0.065  0.723  0.755  1.0
  Yb  Yb1  1  0.935  0.277  0.245  1.0
  Yb  Yb2  1  0.565  0.277  0.745  1.0
  Yb  Yb3  1  0.435  0.723  0.255  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.500  0.500  1.0
  Ti  Ti6  1  0.500  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.467  0.857  0.745  1.0
  O  O9  1  0.533  0.143  0.255  1.0
  O  O10  1  0.967  0.143  0.755  1.0
  O  O11  1  0.033  0.857  0.245  1.0
  O  O12  1  0.783  0.750  0.557  1.0
  O  O13  1  0.217  0.250  0.443  1.0
  O  O14  1  0.283  0.250  0.943  1.0
  O  O15  1  0.717  0.750  0.057  1.0
  O  O16  1  0.302  0.660  0.547  1.0
  O  O17  1  0.698  0.340  0.453  1.0
  O  O18  1  0.802  0.340  0.953  1.0
  O  O19  1  0.198  0.660  0.047  1.0
[/CIF]
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