The material structure described by MgYb4Ti2O10 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra, corners with two equivalent Ti(2)O4 tetrahedra, and  an edgeedge with one Yb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-76°. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted YbO6 octahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ti(2)O4 tetrahedra,  an edgeedge with one Yb(2)O6 octahedra, and  an edgeedge with one Yb(4)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Yb site, Yb(2) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted YbO6 octahedra that share  a cornercorner with one Yb(1)O6 octahedra,  a cornercorner with one Yb(4)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ti(2)O4 tetrahedra,  an edgeedge with one Yb(1)O6 octahedra, and edges with two equivalent Yb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-38°. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the fourth Yb site, Yb(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form distorted YbO6 octahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Ti(2)O4 tetrahedra,  an edgeedge with one Yb(1)O6 octahedra, edges with two equivalent Yb(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the second Ti site, Ti(2) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form TiO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra, corners with two equivalent Yb(4)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one Yb(1), and one Ti(2) atom. In the second O site, O(2) is bonded to one Yb(1), one Yb(2), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb4Ti square pyramids that share  a cornercorner with one O(7)Yb4Ti square pyramid, corners with two equivalent O(6)Yb3Ti tetrahedra, edges with two equivalent O(7)Yb4Ti square pyramids,  an edgeedge with one O(6)Yb3Ti tetrahedra, and edges with two equivalent O(3)Yb3Ti tetrahedra. In the third O site, O(3) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with two equivalent O(7)Yb4Ti square pyramids,  a cornercorner with one O(6)Yb3Ti tetrahedra,  an edgeedge with one O(7)Yb4Ti square pyramid, edges with two equivalent O(2)Yb4Ti square pyramids, and  an edgeedge with one O(6)Yb3Ti tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Yb(1), and one Yb(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Yb(2), one Yb(4), and one Ti(2) atom. In the sixth O site, O(6) is bonded to one Yb(2), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with two equivalent O(2)Yb4Ti square pyramids,  a cornercorner with one O(3)Yb3Ti tetrahedra,  an edgeedge with one O(2)Yb4Ti square pyramid, edges with two equivalent O(7)Yb4Ti square pyramids, and  an edgeedge with one O(3)Yb3Ti tetrahedra. In the seventh O site, O(7) is bonded to one Yb(1), one Yb(2), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb4Ti square pyramids that share  a cornercorner with one O(2)Yb4Ti square pyramid, corners with two equivalent O(3)Yb3Ti tetrahedra, edges with two equivalent O(2)Yb4Ti square pyramids,  an edgeedge with one O(3)Yb3Ti tetrahedra, and edges with two equivalent O(6)Yb3Ti tetrahedra. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Yb(1), one Yb(3), one Ti(1), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Yb(4), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Yb(2), one Yb(4), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   5.842
_cell_length_c   8.582
_cell_angle_alpha   71.772
_cell_angle_beta   102.263
_cell_angle_gamma   78.585
_symmetry_Int_Tables_number   1
_cell_volume   243.512
_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  0.621  0.814  0.732  1.0
  Yb  Yb1  1  0.647  0.625  0.379  1.0
  Yb  Yb2  1  0.262  0.385  0.645  1.0
  Yb  Yb3  1  0.325  0.238  0.274  1.0
  Mg  Mg4  1  0.649  0.128  0.044  1.0
  Ti  Ti5  1  0.998  0.978  0.495  1.0
  Ti  Ti6  1  0.178  0.889  0.966  1.0
  O  O7  1  0.840  0.892  0.961  1.0
  O  O8  1  0.308  0.825  0.471  1.0
  O  O9  1  0.912  0.686  0.608  1.0
  O  O10  1  0.596  0.419  0.840  1.0
  O  O11  1  0.401  0.598  0.129  1.0
  O  O12  1  0.022  0.325  0.413  1.0
  O  O13  1  0.580  0.233  0.529  1.0
  O  O14  1  0.205  0.976  0.742  1.0
  O  O15  1  0.276  0.131  0.034  1.0
  O  O16  1  0.749  0.017  0.292  1.0
[/CIF]
.
The material structure described by MgYb4Ti2O10 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra, corners with two equivalent Ti(2)O4 tetrahedra, and  an edgeedge with one Yb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-76°. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted YbO6 octahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ti(2)O4 tetrahedra,  an edgeedge with one Yb(2)O6 octahedra, and  an edgeedge with one Yb(4)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Yb site, Yb(2) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted YbO6 octahedra that share  a cornercorner with one Yb(1)O6 octahedra,  a cornercorner with one Yb(4)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ti(2)O4 tetrahedra,  an edgeedge with one Yb(1)O6 octahedra, and edges with two equivalent Yb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-38°. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the fourth Yb site, Yb(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form distorted YbO6 octahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Ti(2)O4 tetrahedra,  an edgeedge with one Yb(1)O6 octahedra, edges with two equivalent Yb(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the second Ti site, Ti(2) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form TiO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra, corners with two equivalent Yb(4)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one Yb(1), and one Ti(2) atom. In the second O site, O(2) is bonded to one Yb(1), one Yb(2), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb4Ti square pyramids that share  a cornercorner with one O(7)Yb4Ti square pyramid, corners with two equivalent O(6)Yb3Ti tetrahedra, edges with two equivalent O(7)Yb4Ti square pyramids,  an edgeedge with one O(6)Yb3Ti tetrahedra, and edges with two equivalent O(3)Yb3Ti tetrahedra. In the third O site, O(3) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with two equivalent O(7)Yb4Ti square pyramids,  a cornercorner with one O(6)Yb3Ti tetrahedra,  an edgeedge with one O(7)Yb4Ti square pyramid, edges with two equivalent O(2)Yb4Ti square pyramids, and  an edgeedge with one O(6)Yb3Ti tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Yb(1), and one Yb(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Yb(2), one Yb(4), and one Ti(2) atom. In the sixth O site, O(6) is bonded to one Yb(2), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with two equivalent O(2)Yb4Ti square pyramids,  a cornercorner with one O(3)Yb3Ti tetrahedra,  an edgeedge with one O(2)Yb4Ti square pyramid, edges with two equivalent O(7)Yb4Ti square pyramids, and  an edgeedge with one O(3)Yb3Ti tetrahedra. In the seventh O site, O(7) is bonded to one Yb(1), one Yb(2), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb4Ti square pyramids that share  a cornercorner with one O(2)Yb4Ti square pyramid, corners with two equivalent O(3)Yb3Ti tetrahedra, edges with two equivalent O(2)Yb4Ti square pyramids,  an edgeedge with one O(3)Yb3Ti tetrahedra, and edges with two equivalent O(6)Yb3Ti tetrahedra. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Yb(1), one Yb(3), one Ti(1), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Yb(4), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Yb(2), one Yb(4), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   5.842
_cell_length_c   8.582
_cell_angle_alpha   71.772
_cell_angle_beta   102.263
_cell_angle_gamma   78.585
_symmetry_Int_Tables_number   1
_cell_volume   243.512
_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  0.621  0.814  0.732  1.0
  Yb  Yb1  1  0.647  0.625  0.379  1.0
  Yb  Yb2  1  0.262  0.385  0.645  1.0
  Yb  Yb3  1  0.325  0.238  0.274  1.0
  Mg  Mg4  1  0.649  0.128  0.044  1.0
  Ti  Ti5  1  0.998  0.978  0.495  1.0
  Ti  Ti6  1  0.178  0.889  0.966  1.0
  O  O7  1  0.840  0.892  0.961  1.0
  O  O8  1  0.308  0.825  0.471  1.0
  O  O9  1  0.912  0.686  0.608  1.0
  O  O10  1  0.596  0.419  0.840  1.0
  O  O11  1  0.401  0.598  0.129  1.0
  O  O12  1  0.022  0.325  0.413  1.0
  O  O13  1  0.580  0.233  0.529  1.0
  O  O14  1  0.205  0.976  0.742  1.0
  O  O15  1  0.276  0.131  0.034  1.0
  O  O16  1  0.749  0.017  0.292  1.0
[/CIF]
.