The crystal structure described by Lu2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted LuO6 octahedra that share corners with two equivalent Lu(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Lu(2)O6 octahedra, and edges with four equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the second Lu site, Lu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LuO6 octahedra that share corners with two equivalent Lu(1)O6 octahedra, corners with two equivalent Lu(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Lu(1)O6 octahedra, and edges with two equivalent Lu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. Ti(1) is bonded to one O(3), one O(4), one O(5), and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Lu(1)O6 octahedra, corners with four equivalent Lu(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-66°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Lu(2) atoms to form OLu4 tetrahedra that share corners with two equivalent O(3)Lu3Ti tetrahedra, corners with four equivalent O(4)Lu3Ti tetrahedra, corners with four equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(4)Lu3Ti tetrahedra, and edges with two equivalent O(3)Lu3Ti tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Lu(1), two equivalent Lu(2), and one Ti(1) atom to form OLu3Ti tetrahedra that share corners with two equivalent O(3)Lu3Ti tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(4)Lu3Ti tetrahedra, and edges with two equivalent O(1)Lu4 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Lu(1) and one Ti(1) atom to form OLu3Ti tetrahedra that share corners with two equivalent O(4)Lu3Ti tetrahedra, corners with four equivalent O(3)Lu3Ti tetrahedra, corners with four equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(4)Lu3Ti tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Lu(2) and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.565
_cell_length_b   7.387
_cell_length_c   15.253
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.648
_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
  Lu  Lu0  1  0.250  0.098  0.085  1.0
  Lu  Lu1  1  0.250  0.166  0.738  1.0
  Lu  Lu2  1  0.750  0.334  0.238  1.0
  Lu  Lu3  1  0.750  0.402  0.585  1.0
  Lu  Lu4  1  0.250  0.598  0.415  1.0
  Lu  Lu5  1  0.250  0.666  0.762  1.0
  Lu  Lu6  1  0.750  0.834  0.262  1.0
  Lu  Lu7  1  0.750  0.902  0.915  1.0
  Ti  Ti8  1  0.250  0.113  0.423  1.0
  Ti  Ti9  1  0.750  0.387  0.923  1.0
  Ti  Ti10  1  0.250  0.613  0.077  1.0
  Ti  Ti11  1  0.750  0.887  0.577  1.0
  O  O12  1  0.750  0.065  0.175  1.0
  O  O13  1  0.750  0.073  0.453  1.0
  O  O14  1  0.750  0.126  0.649  1.0
  O  O15  1  0.750  0.155  0.996  1.0
  O  O16  1  0.250  0.245  0.320  1.0
  O  O17  1  0.750  0.255  0.820  1.0
  O  O18  1  0.250  0.345  0.496  1.0
  O  O19  1  0.250  0.374  0.149  1.0
  O  O20  1  0.250  0.427  0.953  1.0
  O  O21  1  0.250  0.435  0.675  1.0
  O  O22  1  0.750  0.565  0.325  1.0
  O  O23  1  0.750  0.573  0.047  1.0
  O  O24  1  0.750  0.626  0.851  1.0
  O  O25  1  0.750  0.655  0.504  1.0
  O  O26  1  0.250  0.745  0.180  1.0
  O  O27  1  0.750  0.755  0.680  1.0
  O  O28  1  0.250  0.845  0.004  1.0
  O  O29  1  0.250  0.874  0.351  1.0
  O  O30  1  0.250  0.927  0.547  1.0
  O  O31  1  0.250  0.935  0.825  1.0
[/CIF]
.
The crystal structure described by Lu2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted LuO6 octahedra that share corners with two equivalent Lu(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Lu(2)O6 octahedra, and edges with four equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the second Lu site, Lu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LuO6 octahedra that share corners with two equivalent Lu(1)O6 octahedra, corners with two equivalent Lu(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Lu(1)O6 octahedra, and edges with two equivalent Lu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. Ti(1) is bonded to one O(3), one O(4), one O(5), and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Lu(1)O6 octahedra, corners with four equivalent Lu(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-66°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Lu(2) atoms to form OLu4 tetrahedra that share corners with two equivalent O(3)Lu3Ti tetrahedra, corners with four equivalent O(4)Lu3Ti tetrahedra, corners with four equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(4)Lu3Ti tetrahedra, and edges with two equivalent O(3)Lu3Ti tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Lu(1), two equivalent Lu(2), and one Ti(1) atom to form OLu3Ti tetrahedra that share corners with two equivalent O(3)Lu3Ti tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(4)Lu3Ti tetrahedra, and edges with two equivalent O(1)Lu4 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Lu(1) and one Ti(1) atom to form OLu3Ti tetrahedra that share corners with two equivalent O(4)Lu3Ti tetrahedra, corners with four equivalent O(3)Lu3Ti tetrahedra, corners with four equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(4)Lu3Ti tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Lu(2) and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.565
_cell_length_b   7.387
_cell_length_c   15.253
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.648
_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
  Lu  Lu0  1  0.250  0.098  0.085  1.0
  Lu  Lu1  1  0.250  0.166  0.738  1.0
  Lu  Lu2  1  0.750  0.334  0.238  1.0
  Lu  Lu3  1  0.750  0.402  0.585  1.0
  Lu  Lu4  1  0.250  0.598  0.415  1.0
  Lu  Lu5  1  0.250  0.666  0.762  1.0
  Lu  Lu6  1  0.750  0.834  0.262  1.0
  Lu  Lu7  1  0.750  0.902  0.915  1.0
  Ti  Ti8  1  0.250  0.113  0.423  1.0
  Ti  Ti9  1  0.750  0.387  0.923  1.0
  Ti  Ti10  1  0.250  0.613  0.077  1.0
  Ti  Ti11  1  0.750  0.887  0.577  1.0
  O  O12  1  0.750  0.065  0.175  1.0
  O  O13  1  0.750  0.073  0.453  1.0
  O  O14  1  0.750  0.126  0.649  1.0
  O  O15  1  0.750  0.155  0.996  1.0
  O  O16  1  0.250  0.245  0.320  1.0
  O  O17  1  0.750  0.255  0.820  1.0
  O  O18  1  0.250  0.345  0.496  1.0
  O  O19  1  0.250  0.374  0.149  1.0
  O  O20  1  0.250  0.427  0.953  1.0
  O  O21  1  0.250  0.435  0.675  1.0
  O  O22  1  0.750  0.565  0.325  1.0
  O  O23  1  0.750  0.573  0.047  1.0
  O  O24  1  0.750  0.626  0.851  1.0
  O  O25  1  0.750  0.655  0.504  1.0
  O  O26  1  0.250  0.745  0.180  1.0
  O  O27  1  0.750  0.755  0.680  1.0
  O  O28  1  0.250  0.845  0.004  1.0
  O  O29  1  0.250  0.874  0.351  1.0
  O  O30  1  0.250  0.927  0.547  1.0
  O  O31  1  0.250  0.935  0.825  1.0
[/CIF]
.