The material described by Lu2TiO5 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted LuO6 pentagonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Lu(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 29°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Lu(1)O6 pentagonal pyramids, and edges with six equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Lu(1) and one Ti(1) atom to form OLu3Ti trigonal pyramids that share  a cornercorner with one O(3)Lu2Ti2 tetrahedra, corners with three equivalent O(2)Lu3Ti trigonal pyramids, edges with two equivalent O(3)Lu2Ti2 tetrahedra, and edges with two equivalent O(2)Lu3Ti trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Lu(1) and two equivalent Ti(1) atoms to form distorted OLu2Ti2 tetrahedra that share corners with two equivalent O(3)Lu2Ti2 tetrahedra, corners with two equivalent O(2)Lu3Ti trigonal pyramids, and edges with four equivalent O(2)Lu3Ti trigonal pyramids. is represented by the CIF file [CIF]
data_Lu2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.738
_cell_length_b   5.738
_cell_length_c   10.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.818
_symmetry_Int_Tables_number   1
_cell_volume   224.605
_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
  Lu  Lu0  1  0.143  0.857  0.432  1.0
  Lu  Lu1  1  0.143  0.857  0.068  1.0
  Lu  Lu2  1  0.857  0.143  0.568  1.0
  Lu  Lu3  1  0.857  0.143  0.932  1.0
  Ti  Ti4  1  0.176  0.824  0.750  1.0
  Ti  Ti5  1  0.824  0.176  0.250  1.0
  O  O6  1  0.051  0.949  0.877  1.0
  O  O7  1  0.051  0.949  0.623  1.0
  O  O8  1  0.706  0.294  0.412  1.0
  O  O9  1  0.706  0.294  0.088  1.0
  O  O10  1  0.268  0.732  0.250  1.0
  O  O11  1  0.732  0.268  0.750  1.0
  O  O12  1  0.294  0.706  0.588  1.0
  O  O13  1  0.294  0.706  0.912  1.0
  O  O14  1  0.949  0.051  0.123  1.0
  O  O15  1  0.949  0.051  0.377  1.0
[/CIF]
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The material described by Lu2TiO5 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted LuO6 pentagonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Lu(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 29°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Lu(1)O6 pentagonal pyramids, and edges with six equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Lu(1) and one Ti(1) atom to form OLu3Ti trigonal pyramids that share  a cornercorner with one O(3)Lu2Ti2 tetrahedra, corners with three equivalent O(2)Lu3Ti trigonal pyramids, edges with two equivalent O(3)Lu2Ti2 tetrahedra, and edges with two equivalent O(2)Lu3Ti trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Lu(1) and two equivalent Ti(1) atoms to form distorted OLu2Ti2 tetrahedra that share corners with two equivalent O(3)Lu2Ti2 tetrahedra, corners with two equivalent O(2)Lu3Ti trigonal pyramids, and edges with four equivalent O(2)Lu3Ti trigonal pyramids. is represented by the CIF file [CIF]
data_Lu2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.738
_cell_length_b   5.738
_cell_length_c   10.361
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.818
_symmetry_Int_Tables_number   1
_cell_volume   224.605
_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
  Lu  Lu0  1  0.143  0.857  0.432  1.0
  Lu  Lu1  1  0.143  0.857  0.068  1.0
  Lu  Lu2  1  0.857  0.143  0.568  1.0
  Lu  Lu3  1  0.857  0.143  0.932  1.0
  Ti  Ti4  1  0.176  0.824  0.750  1.0
  Ti  Ti5  1  0.824  0.176  0.250  1.0
  O  O6  1  0.051  0.949  0.877  1.0
  O  O7  1  0.051  0.949  0.623  1.0
  O  O8  1  0.706  0.294  0.412  1.0
  O  O9  1  0.706  0.294  0.088  1.0
  O  O10  1  0.268  0.732  0.250  1.0
  O  O11  1  0.732  0.268  0.750  1.0
  O  O12  1  0.294  0.706  0.588  1.0
  O  O13  1  0.294  0.706  0.912  1.0
  O  O14  1  0.949  0.051  0.123  1.0
  O  O15  1  0.949  0.051  0.377  1.0
[/CIF]
.