The material described by Yb2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted YbO7 hexagonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Yb(1)O7 hexagonal pyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(1) atoms. Ti(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Yb(1)O7 hexagonal pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Yb(1)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1) and three equivalent Yb(2) atoms to form OYb4 tetrahedra that share corners with two equivalent O(4)Yb2Ti2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra, corners with five equivalent O(3)Yb3Ti tetrahedra, corners with five equivalent O(5)Yb3Ti tetrahedra,  an edgeedge with one O(4)Yb2Ti2 tetrahedra,  an edgeedge with one O(3)Yb3Ti tetrahedra, and edges with two equivalent O(1)Yb4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one Ti(1) atom. In the third O site, O(3) is bonded to one Yb(1), two equivalent Yb(2), and one Ti(1) atom to form OYb3Ti tetrahedra that share  a cornercorner with one O(4)Yb2Ti2 tetrahedra,  a cornercorner with one O(5)Yb3Ti tetrahedra, corners with two equivalent O(3)Yb3Ti tetrahedra, corners with five equivalent O(1)Yb4 tetrahedra,  an edgeedge with one O(1)Yb4 tetrahedra, edges with two equivalent O(4)Yb2Ti2 tetrahedra, and edges with two equivalent O(5)Yb3Ti tetrahedra. In the fourth O site, O(4) is bonded to one Yb(1), one Yb(2), and two equivalent Ti(1) atoms to form distorted OYb2Ti2 tetrahedra that share  a cornercorner with one O(3)Yb3Ti tetrahedra,  a cornercorner with one O(5)Yb3Ti tetrahedra, corners with two equivalent O(4)Yb2Ti2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra,  an edgeedge with one O(1)Yb4 tetrahedra, edges with two equivalent O(3)Yb3Ti tetrahedra, and edges with two equivalent O(5)Yb3Ti tetrahedra. In the fifth O site, O(5) is bonded to one Yb(2), two equivalent Yb(1), and one Ti(1) atom to form OYb3Ti tetrahedra that share  a cornercorner with one O(4)Yb2Ti2 tetrahedra,  a cornercorner with one O(3)Yb3Ti tetrahedra, corners with two equivalent O(5)Yb3Ti tetrahedra, corners with five equivalent O(1)Yb4 tetrahedra, edges with two equivalent O(4)Yb2Ti2 tetrahedra, and edges with two equivalent O(3)Yb3Ti tetrahedra. is represented by the CIF card [CIF]
data_Yb2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   10.930
_cell_length_c   11.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   446.148
_cell_formula_units_Z   4
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  0.250  0.107  0.282  1.0
  Yb  Yb1  1  0.250  0.140  0.938  1.0
  Yb  Yb2  1  0.750  0.360  0.438  1.0
  Yb  Yb3  1  0.750  0.393  0.782  1.0
  Yb  Yb4  1  0.250  0.607  0.218  1.0
  Yb  Yb5  1  0.250  0.640  0.562  1.0
  Yb  Yb6  1  0.750  0.860  0.062  1.0
  Yb  Yb7  1  0.750  0.893  0.718  1.0
  Ti  Ti8  1  0.250  0.175  0.625  1.0
  Ti  Ti9  1  0.750  0.325  0.125  1.0
  Ti  Ti10  1  0.250  0.675  0.875  1.0
  Ti  Ti11  1  0.750  0.825  0.375  1.0
  O  O12  1  0.750  0.007  0.907  1.0
  O  O13  1  0.250  0.017  0.663  1.0
  O  O14  1  0.250  0.222  0.458  1.0
  O  O15  1  0.750  0.235  0.613  1.0
  O  O16  1  0.750  0.239  0.270  1.0
  O  O17  1  0.250  0.261  0.770  1.0
  O  O18  1  0.250  0.265  0.113  1.0
  O  O19  1  0.750  0.278  0.958  1.0
  O  O20  1  0.750  0.483  0.163  1.0
  O  O21  1  0.250  0.493  0.407  1.0
  O  O22  1  0.750  0.507  0.593  1.0
  O  O23  1  0.250  0.517  0.837  1.0
  O  O24  1  0.250  0.722  0.042  1.0
  O  O25  1  0.750  0.735  0.887  1.0
  O  O26  1  0.750  0.739  0.230  1.0
  O  O27  1  0.250  0.761  0.730  1.0
  O  O28  1  0.250  0.765  0.387  1.0
  O  O29  1  0.750  0.778  0.542  1.0
  O  O30  1  0.750  0.983  0.337  1.0
  O  O31  1  0.250  0.993  0.093  1.0
[/CIF]
.
The material described by Yb2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted YbO7 hexagonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Yb(1)O7 hexagonal pyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(1) atoms. Ti(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Yb(1)O7 hexagonal pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Yb(1)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1) and three equivalent Yb(2) atoms to form OYb4 tetrahedra that share corners with two equivalent O(4)Yb2Ti2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra, corners with five equivalent O(3)Yb3Ti tetrahedra, corners with five equivalent O(5)Yb3Ti tetrahedra,  an edgeedge with one O(4)Yb2Ti2 tetrahedra,  an edgeedge with one O(3)Yb3Ti tetrahedra, and edges with two equivalent O(1)Yb4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one Ti(1) atom. In the third O site, O(3) is bonded to one Yb(1), two equivalent Yb(2), and one Ti(1) atom to form OYb3Ti tetrahedra that share  a cornercorner with one O(4)Yb2Ti2 tetrahedra,  a cornercorner with one O(5)Yb3Ti tetrahedra, corners with two equivalent O(3)Yb3Ti tetrahedra, corners with five equivalent O(1)Yb4 tetrahedra,  an edgeedge with one O(1)Yb4 tetrahedra, edges with two equivalent O(4)Yb2Ti2 tetrahedra, and edges with two equivalent O(5)Yb3Ti tetrahedra. In the fourth O site, O(4) is bonded to one Yb(1), one Yb(2), and two equivalent Ti(1) atoms to form distorted OYb2Ti2 tetrahedra that share  a cornercorner with one O(3)Yb3Ti tetrahedra,  a cornercorner with one O(5)Yb3Ti tetrahedra, corners with two equivalent O(4)Yb2Ti2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra,  an edgeedge with one O(1)Yb4 tetrahedra, edges with two equivalent O(3)Yb3Ti tetrahedra, and edges with two equivalent O(5)Yb3Ti tetrahedra. In the fifth O site, O(5) is bonded to one Yb(2), two equivalent Yb(1), and one Ti(1) atom to form OYb3Ti tetrahedra that share  a cornercorner with one O(4)Yb2Ti2 tetrahedra,  a cornercorner with one O(3)Yb3Ti tetrahedra, corners with two equivalent O(5)Yb3Ti tetrahedra, corners with five equivalent O(1)Yb4 tetrahedra, edges with two equivalent O(4)Yb2Ti2 tetrahedra, and edges with two equivalent O(3)Yb3Ti tetrahedra. is represented by the CIF card [CIF]
data_Yb2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   10.930
_cell_length_c   11.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   446.148
_cell_formula_units_Z   4
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  0.250  0.107  0.282  1.0
  Yb  Yb1  1  0.250  0.140  0.938  1.0
  Yb  Yb2  1  0.750  0.360  0.438  1.0
  Yb  Yb3  1  0.750  0.393  0.782  1.0
  Yb  Yb4  1  0.250  0.607  0.218  1.0
  Yb  Yb5  1  0.250  0.640  0.562  1.0
  Yb  Yb6  1  0.750  0.860  0.062  1.0
  Yb  Yb7  1  0.750  0.893  0.718  1.0
  Ti  Ti8  1  0.250  0.175  0.625  1.0
  Ti  Ti9  1  0.750  0.325  0.125  1.0
  Ti  Ti10  1  0.250  0.675  0.875  1.0
  Ti  Ti11  1  0.750  0.825  0.375  1.0
  O  O12  1  0.750  0.007  0.907  1.0
  O  O13  1  0.250  0.017  0.663  1.0
  O  O14  1  0.250  0.222  0.458  1.0
  O  O15  1  0.750  0.235  0.613  1.0
  O  O16  1  0.750  0.239  0.270  1.0
  O  O17  1  0.250  0.261  0.770  1.0
  O  O18  1  0.250  0.265  0.113  1.0
  O  O19  1  0.750  0.278  0.958  1.0
  O  O20  1  0.750  0.483  0.163  1.0
  O  O21  1  0.250  0.493  0.407  1.0
  O  O22  1  0.750  0.507  0.593  1.0
  O  O23  1  0.250  0.517  0.837  1.0
  O  O24  1  0.250  0.722  0.042  1.0
  O  O25  1  0.750  0.735  0.887  1.0
  O  O26  1  0.750  0.739  0.230  1.0
  O  O27  1  0.250  0.761  0.730  1.0
  O  O28  1  0.250  0.765  0.387  1.0
  O  O29  1  0.750  0.778  0.542  1.0
  O  O30  1  0.750  0.983  0.337  1.0
  O  O31  1  0.250  0.993  0.093  1.0
[/CIF]
.