The crystal structure described by Yb2TiO5 crystallizes in the monoclinic C2/c space group. Yb(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Yb(1) and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with three equivalent O(1)Yb3Ti tetrahedra,  a cornercorner with one O(3)Yb2Ti2 trigonal pyramid, edges with two equivalent O(1)Yb3Ti tetrahedra, and edges with two equivalent O(3)Yb2Ti2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent Yb(1) and two equivalent Ti(1) atoms to form distorted OYb2Ti2 trigonal pyramids that share corners with two equivalent O(1)Yb3Ti tetrahedra, corners with two equivalent O(3)Yb2Ti2 trigonal pyramids, and edges with four equivalent O(1)Yb3Ti tetrahedra. is represented by the CIF file [CIF]
data_Yb2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   6.562
_cell_length_c   7.559
_cell_angle_alpha   66.838
_cell_angle_beta   90.000
_cell_angle_gamma   66.622
_symmetry_Int_Tables_number   1
_cell_volume   214.195
_cell_formula_units_Z   2
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  0.630  0.723  0.770  1.0
  Yb  Yb1  1  0.647  0.723  0.270  1.0
  Yb  Yb2  1  0.353  0.277  0.730  1.0
  Yb  Yb3  1  0.370  0.277  0.230  1.0
  Ti  Ti4  1  0.000  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.728  0.877  0.966  1.0
  O  O7  1  0.395  0.877  0.466  1.0
  O  O8  1  0.026  0.671  0.621  1.0
  O  O9  1  0.697  0.329  0.879  1.0
  O  O10  1  0.303  0.671  0.121  1.0
  O  O11  1  0.974  0.329  0.379  1.0
  O  O12  1  0.605  0.123  0.534  1.0
  O  O13  1  0.142  0.000  0.750  1.0
  O  O14  1  0.272  0.123  0.034  1.0
  O  O15  1  0.858  0.000  0.250  1.0
[/CIF]
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The crystal structure described by Yb2TiO5 crystallizes in the monoclinic C2/c space group. Yb(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Yb(1) and one Ti(1) atom to form distorted OYb3Ti tetrahedra that share corners with three equivalent O(1)Yb3Ti tetrahedra,  a cornercorner with one O(3)Yb2Ti2 trigonal pyramid, edges with two equivalent O(1)Yb3Ti tetrahedra, and edges with two equivalent O(3)Yb2Ti2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent Yb(1) and two equivalent Ti(1) atoms to form distorted OYb2Ti2 trigonal pyramids that share corners with two equivalent O(1)Yb3Ti tetrahedra, corners with two equivalent O(3)Yb2Ti2 trigonal pyramids, and edges with four equivalent O(1)Yb3Ti tetrahedra. is represented by the CIF file [CIF]
data_Yb2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   6.562
_cell_length_c   7.559
_cell_angle_alpha   66.838
_cell_angle_beta   90.000
_cell_angle_gamma   66.622
_symmetry_Int_Tables_number   1
_cell_volume   214.195
_cell_formula_units_Z   2
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  0.630  0.723  0.770  1.0
  Yb  Yb1  1  0.647  0.723  0.270  1.0
  Yb  Yb2  1  0.353  0.277  0.730  1.0
  Yb  Yb3  1  0.370  0.277  0.230  1.0
  Ti  Ti4  1  0.000  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.728  0.877  0.966  1.0
  O  O7  1  0.395  0.877  0.466  1.0
  O  O8  1  0.026  0.671  0.621  1.0
  O  O9  1  0.697  0.329  0.879  1.0
  O  O10  1  0.303  0.671  0.121  1.0
  O  O11  1  0.974  0.329  0.379  1.0
  O  O12  1  0.605  0.123  0.534  1.0
  O  O13  1  0.142  0.000  0.750  1.0
  O  O14  1  0.272  0.123  0.034  1.0
  O  O15  1  0.858  0.000  0.250  1.0
[/CIF]
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