The material described by MgYb4Ti2O10 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(5), and four equivalent O(1) atoms. 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(3), one O(5), one O(6), and two equivalent O(2) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted corner-sharing TiO6 pentagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Yb(1), one Yb(2), and one Ti(1) atom to form distorted OYb2Mg2Ti trigonal bipyramids that share corners with three equivalent O(2)Yb3Ti tetrahedra,  a cornercorner with one O(4)Yb2MgTi2 trigonal bipyramid, corners with four equivalent O(1)Yb2Mg2Ti trigonal bipyramids, edges with two equivalent O(4)Yb2MgTi2 trigonal bipyramids, and  a faceface with one O(1)Yb2Mg2Ti trigonal bipyramid. In the second O site, O(2) is bonded to one Yb(2), two equivalent Yb(1), and one Ti(2) atom to form OYb3Ti tetrahedra that share corners with three equivalent O(2)Yb3Ti tetrahedra,  a cornercorner with one O(4)Yb2MgTi2 trigonal bipyramid, and corners with three equivalent O(1)Yb2Mg2Ti trigonal bipyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Yb(2), and two equivalent Ti(1) atoms to form OYb2MgTi2 trigonal bipyramids that share corners with two equivalent O(2)Yb3Ti tetrahedra, corners with two equivalent O(1)Yb2Mg2Ti trigonal bipyramids, corners with two equivalent O(4)Yb2MgTi2 trigonal bipyramids, and edges with four equivalent O(1)Yb2Mg2Ti trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(2), one Ti(2), and one O(6) atom. is represented by the CIF card [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.165
_cell_length_b   5.694
_cell_length_c   10.583
_cell_angle_alpha   89.987
_cell_angle_beta   90.000
_cell_angle_gamma   68.549
_symmetry_Int_Tables_number   1
_cell_volume   233.592
_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  0.141  0.718  0.929  1.0
  Yb  Yb1  1  0.141  0.718  0.571  1.0
  Yb  Yb2  1  0.846  0.308  0.067  1.0
  Yb  Yb3  1  0.846  0.309  0.434  1.0
  Mg  Mg4  1  0.493  0.014  0.250  1.0
  Ti  Ti5  1  0.188  0.624  0.250  1.0
  Ti  Ti6  1  0.787  0.427  0.750  1.0
  O  O7  1  0.051  0.899  0.373  1.0
  O  O8  1  0.051  0.898  0.127  1.0
  O  O9  1  0.707  0.586  0.908  1.0
  O  O10  1  0.707  0.586  0.592  1.0
  O  O11  1  0.262  0.477  0.750  1.0
  O  O12  1  0.694  0.612  0.250  1.0
  O  O13  1  0.328  0.345  0.126  1.0
  O  O14  1  0.327  0.345  0.375  1.0
  O  O15  1  0.959  0.083  0.679  1.0
  O  O16  1  0.959  0.083  0.821  1.0
[/CIF]
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The material described by MgYb4Ti2O10 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(5), and four equivalent O(1) atoms. 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(3), one O(5), one O(6), and two equivalent O(2) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted corner-sharing TiO6 pentagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Yb(1), one Yb(2), and one Ti(1) atom to form distorted OYb2Mg2Ti trigonal bipyramids that share corners with three equivalent O(2)Yb3Ti tetrahedra,  a cornercorner with one O(4)Yb2MgTi2 trigonal bipyramid, corners with four equivalent O(1)Yb2Mg2Ti trigonal bipyramids, edges with two equivalent O(4)Yb2MgTi2 trigonal bipyramids, and  a faceface with one O(1)Yb2Mg2Ti trigonal bipyramid. In the second O site, O(2) is bonded to one Yb(2), two equivalent Yb(1), and one Ti(2) atom to form OYb3Ti tetrahedra that share corners with three equivalent O(2)Yb3Ti tetrahedra,  a cornercorner with one O(4)Yb2MgTi2 trigonal bipyramid, and corners with three equivalent O(1)Yb2Mg2Ti trigonal bipyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Yb(2), and two equivalent Ti(1) atoms to form OYb2MgTi2 trigonal bipyramids that share corners with two equivalent O(2)Yb3Ti tetrahedra, corners with two equivalent O(1)Yb2Mg2Ti trigonal bipyramids, corners with two equivalent O(4)Yb2MgTi2 trigonal bipyramids, and edges with four equivalent O(1)Yb2Mg2Ti trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), two equivalent Yb(2), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(2), one Ti(2), and one O(6) atom. is represented by the CIF card [CIF]
data_Yb4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.165
_cell_length_b   5.694
_cell_length_c   10.583
_cell_angle_alpha   89.987
_cell_angle_beta   90.000
_cell_angle_gamma   68.549
_symmetry_Int_Tables_number   1
_cell_volume   233.592
_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  0.141  0.718  0.929  1.0
  Yb  Yb1  1  0.141  0.718  0.571  1.0
  Yb  Yb2  1  0.846  0.308  0.067  1.0
  Yb  Yb3  1  0.846  0.309  0.434  1.0
  Mg  Mg4  1  0.493  0.014  0.250  1.0
  Ti  Ti5  1  0.188  0.624  0.250  1.0
  Ti  Ti6  1  0.787  0.427  0.750  1.0
  O  O7  1  0.051  0.899  0.373  1.0
  O  O8  1  0.051  0.898  0.127  1.0
  O  O9  1  0.707  0.586  0.908  1.0
  O  O10  1  0.707  0.586  0.592  1.0
  O  O11  1  0.262  0.477  0.750  1.0
  O  O12  1  0.694  0.612  0.250  1.0
  O  O13  1  0.328  0.345  0.126  1.0
  O  O14  1  0.327  0.345  0.375  1.0
  O  O15  1  0.959  0.083  0.679  1.0
  O  O16  1  0.959  0.083  0.821  1.0
[/CIF]
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