The crystal structure described by MgYb4Ti2O10 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share corners with four equivalent Yb(2)O6 pentagonal pyramids and corners with four equivalent Ti(1)O5 trigonal bipyramids. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Yb site, Yb(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted YbO6 pentagonal pyramids that share corners with three equivalent Yb(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with four equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Yb(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Yb(2)O6 pentagonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Yb(1), one Yb(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one Ti(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted OYb3Mg trigonal pyramids that share  a cornercorner with one O(6)Yb2Ti2 trigonal pyramid, corners with two equivalent O(4)Yb3Ti trigonal pyramids, corners with three equivalent O(3)Yb3Mg trigonal pyramids, and  an edgeedge with one O(4)Yb3Ti trigonal pyramid. In the fourth O site, O(4) is bonded to one Yb(1), two equivalent Yb(2), and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share corners with two equivalent O(3)Yb3Mg trigonal pyramids, corners with two equivalent O(4)Yb3Ti trigonal pyramids, corners with three equivalent O(6)Yb2Ti2 trigonal pyramids, and  an edgeedge with one O(3)Yb3Mg trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Yb(2) and two equivalent Ti(1) atoms to form distorted OYb2Ti2 trigonal pyramids that share corners with two equivalent O(3)Yb3Mg trigonal pyramids and corners with six equivalent O(4)Yb3Ti trigonal pyramids. is represented by the CIF file [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   6.443
_cell_length_c   7.147
_cell_angle_alpha   77.037
_cell_angle_beta   90.000
_cell_angle_gamma   65.497
_symmetry_Int_Tables_number   1
_cell_volume   216.996
_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  0.761  0.476  0.907  1.0
  Yb  Yb1  1  0.698  0.719  0.301  1.0
  Yb  Yb2  1  0.237  0.524  0.593  1.0
  Yb  Yb3  1  0.416  0.281  0.199  1.0
  Mg  Mg4  1  0.569  0.000  0.750  1.0
  Ti  Ti5  1  0.991  0.105  0.479  1.0
  Ti  Ti6  1  0.095  0.895  0.021  1.0
  O  O7  1  0.849  0.769  0.987  1.0
  O  O8  1  0.323  0.834  0.453  1.0
  O  O9  1  0.772  0.712  0.629  1.0
  O  O10  1  0.484  0.288  0.871  1.0
  O  O11  1  0.419  0.638  0.109  1.0
  O  O12  1  0.057  0.362  0.391  1.0
  O  O13  1  0.617  0.231  0.513  1.0
  O  O14  1  0.149  0.000  0.750  1.0
  O  O15  1  0.157  0.166  0.047  1.0
  O  O16  1  0.880  0.000  0.250  1.0
[/CIF]
.
The crystal structure described by MgYb4Ti2O10 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share corners with four equivalent Yb(2)O6 pentagonal pyramids and corners with four equivalent Ti(1)O5 trigonal bipyramids. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Yb site, Yb(2) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted YbO6 pentagonal pyramids that share corners with three equivalent Yb(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with four equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted TiO5 trigonal bipyramids that share corners with four equivalent Yb(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Yb(2)O6 pentagonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Yb(1), one Yb(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one Ti(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted OYb3Mg trigonal pyramids that share  a cornercorner with one O(6)Yb2Ti2 trigonal pyramid, corners with two equivalent O(4)Yb3Ti trigonal pyramids, corners with three equivalent O(3)Yb3Mg trigonal pyramids, and  an edgeedge with one O(4)Yb3Ti trigonal pyramid. In the fourth O site, O(4) is bonded to one Yb(1), two equivalent Yb(2), and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share corners with two equivalent O(3)Yb3Mg trigonal pyramids, corners with two equivalent O(4)Yb3Ti trigonal pyramids, corners with three equivalent O(6)Yb2Ti2 trigonal pyramids, and  an edgeedge with one O(3)Yb3Mg trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Yb(2) and two equivalent Ti(1) atoms to form distorted OYb2Ti2 trigonal pyramids that share corners with two equivalent O(3)Yb3Mg trigonal pyramids and corners with six equivalent O(4)Yb3Ti trigonal pyramids. is represented by the CIF file [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   6.443
_cell_length_c   7.147
_cell_angle_alpha   77.037
_cell_angle_beta   90.000
_cell_angle_gamma   65.497
_symmetry_Int_Tables_number   1
_cell_volume   216.996
_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  0.761  0.476  0.907  1.0
  Yb  Yb1  1  0.698  0.719  0.301  1.0
  Yb  Yb2  1  0.237  0.524  0.593  1.0
  Yb  Yb3  1  0.416  0.281  0.199  1.0
  Mg  Mg4  1  0.569  0.000  0.750  1.0
  Ti  Ti5  1  0.991  0.105  0.479  1.0
  Ti  Ti6  1  0.095  0.895  0.021  1.0
  O  O7  1  0.849  0.769  0.987  1.0
  O  O8  1  0.323  0.834  0.453  1.0
  O  O9  1  0.772  0.712  0.629  1.0
  O  O10  1  0.484  0.288  0.871  1.0
  O  O11  1  0.419  0.638  0.109  1.0
  O  O12  1  0.057  0.362  0.391  1.0
  O  O13  1  0.617  0.231  0.513  1.0
  O  O14  1  0.149  0.000  0.750  1.0
  O  O15  1  0.157  0.166  0.047  1.0
  O  O16  1  0.880  0.000  0.250  1.0
[/CIF]
.