The crystal structure described by MgYb4Ti2O10 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), and three equivalent O(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(5), two equivalent O(1), and three equivalent O(4) atoms. Ti(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(5) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 71°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Yb(1), one Ti(1), and one O(2) atom. In the third O site, O(3) is bonded to one Mg(1) and three equivalent Yb(1) atoms to form OYb3Mg tetrahedra that share corners with three equivalent O(3)Yb3Mg tetrahedra, corners with three equivalent O(5)Yb2Ti2 trigonal pyramids, and edges with two equivalent O(3)Yb3Mg tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Yb(2) and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(5)Yb2Ti2 trigonal pyramid, corners with two equivalent O(4)Yb3Ti trigonal pyramids, edges with two equivalent O(5)Yb2Ti2 trigonal pyramids, and edges with two equivalent O(4)Yb3Ti trigonal pyramids. In the fifth O site, O(5) is bonded to one Yb(1), one Yb(2), and two equivalent Ti(1) atoms to form distorted OYb2Ti2 trigonal pyramids that share corners with three equivalent O(3)Yb3Mg tetrahedra,  a cornercorner with one O(4)Yb3Ti trigonal pyramid, corners with two equivalent O(5)Yb2Ti2 trigonal pyramids, and edges with two equivalent O(4)Yb3Ti trigonal pyramids. is represented by the CIF card [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   5.922
_cell_length_c   10.613
_cell_angle_alpha   75.365
_cell_angle_beta   90.000
_cell_angle_gamma   69.883
_symmetry_Int_Tables_number   1
_cell_volume   231.509
_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  0.181  0.638  0.884  1.0
  Yb  Yb1  1  0.155  0.689  0.565  1.0
  Yb  Yb2  1  0.819  0.362  0.116  1.0
  Yb  Yb3  1  0.845  0.311  0.435  1.0
  Mg  Mg4  1  0.500  0.000  0.000  1.0
  Ti  Ti5  1  0.133  0.734  0.263  1.0
  Ti  Ti6  1  0.867  0.266  0.737  1.0
  O  O7  1  0.014  0.972  0.346  1.0
  O  O8  1  0.024  0.952  0.072  1.0
  O  O9  1  0.655  0.690  0.945  1.0
  O  O10  1  0.733  0.534  0.593  1.0
  O  O11  1  0.329  0.342  0.757  1.0
  O  O12  1  0.671  0.658  0.243  1.0
  O  O13  1  0.345  0.310  0.055  1.0
  O  O14  1  0.267  0.466  0.407  1.0
  O  O15  1  0.986  0.028  0.654  1.0
  O  O16  1  0.976  0.048  0.928  1.0
[/CIF]
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The crystal structure described by MgYb4Ti2O10 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), and three equivalent O(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(5), two equivalent O(1), and three equivalent O(4) atoms. Ti(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(5) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 71°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Yb(1), one Ti(1), and one O(2) atom. In the third O site, O(3) is bonded to one Mg(1) and three equivalent Yb(1) atoms to form OYb3Mg tetrahedra that share corners with three equivalent O(3)Yb3Mg tetrahedra, corners with three equivalent O(5)Yb2Ti2 trigonal pyramids, and edges with two equivalent O(3)Yb3Mg tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Yb(2) and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(5)Yb2Ti2 trigonal pyramid, corners with two equivalent O(4)Yb3Ti trigonal pyramids, edges with two equivalent O(5)Yb2Ti2 trigonal pyramids, and edges with two equivalent O(4)Yb3Ti trigonal pyramids. In the fifth O site, O(5) is bonded to one Yb(1), one Yb(2), and two equivalent Ti(1) atoms to form distorted OYb2Ti2 trigonal pyramids that share corners with three equivalent O(3)Yb3Mg tetrahedra,  a cornercorner with one O(4)Yb3Ti trigonal pyramid, corners with two equivalent O(5)Yb2Ti2 trigonal pyramids, and edges with two equivalent O(4)Yb3Ti trigonal pyramids. is represented by the CIF card [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   5.922
_cell_length_c   10.613
_cell_angle_alpha   75.365
_cell_angle_beta   90.000
_cell_angle_gamma   69.883
_symmetry_Int_Tables_number   1
_cell_volume   231.509
_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  0.181  0.638  0.884  1.0
  Yb  Yb1  1  0.155  0.689  0.565  1.0
  Yb  Yb2  1  0.819  0.362  0.116  1.0
  Yb  Yb3  1  0.845  0.311  0.435  1.0
  Mg  Mg4  1  0.500  0.000  0.000  1.0
  Ti  Ti5  1  0.133  0.734  0.263  1.0
  Ti  Ti6  1  0.867  0.266  0.737  1.0
  O  O7  1  0.014  0.972  0.346  1.0
  O  O8  1  0.024  0.952  0.072  1.0
  O  O9  1  0.655  0.690  0.945  1.0
  O  O10  1  0.733  0.534  0.593  1.0
  O  O11  1  0.329  0.342  0.757  1.0
  O  O12  1  0.671  0.658  0.243  1.0
  O  O13  1  0.345  0.310  0.055  1.0
  O  O14  1  0.267  0.466  0.407  1.0
  O  O15  1  0.986  0.028  0.654  1.0
  O  O16  1  0.976  0.048  0.928  1.0
[/CIF]
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