The material structure described by Li2Ti2O5 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with five equivalent Ti(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Ti(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(1)O4 tetrahedra and corners with five equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to three equivalent Li(1) and one Ti(1) atom to form a mixture of edge and corner-sharing OLi3Ti tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Li2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   5.882
_cell_length_c   15.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.150
_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
  Li  Li0  1  0.819  0.099  0.049  1.0
  Li  Li1  1  0.181  0.099  0.549  1.0
  Li  Li2  1  0.319  0.401  0.049  1.0
  Li  Li3  1  0.681  0.401  0.549  1.0
  Li  Li4  1  0.319  0.599  0.451  1.0
  Li  Li5  1  0.681  0.599  0.951  1.0
  Li  Li6  1  0.819  0.901  0.451  1.0
  Li  Li7  1  0.181  0.901  0.951  1.0
  Ti  Ti8  1  0.310  0.092  0.357  1.0
  Ti  Ti9  1  0.690  0.092  0.857  1.0
  Ti  Ti10  1  0.190  0.408  0.857  1.0
  Ti  Ti11  1  0.810  0.408  0.357  1.0
  Ti  Ti12  1  0.190  0.592  0.643  1.0
  Ti  Ti13  1  0.810  0.592  0.143  1.0
  Ti  Ti14  1  0.310  0.908  0.143  1.0
  Ti  Ti15  1  0.690  0.908  0.643  1.0
  O  O16  1  0.226  0.000  0.250  1.0
  O  O17  1  0.774  0.000  0.750  1.0
  O  O18  1  0.192  0.088  0.063  1.0
  O  O19  1  0.808  0.088  0.563  1.0
  O  O20  1  0.655  0.126  0.373  1.0
  O  O21  1  0.345  0.126  0.873  1.0
  O  O22  1  0.155  0.374  0.373  1.0
  O  O23  1  0.845  0.374  0.873  1.0
  O  O24  1  0.308  0.412  0.563  1.0
  O  O25  1  0.692  0.412  0.063  1.0
  O  O26  1  0.274  0.500  0.750  1.0
  O  O27  1  0.726  0.500  0.250  1.0
  O  O28  1  0.692  0.588  0.437  1.0
  O  O29  1  0.308  0.588  0.937  1.0
  O  O30  1  0.155  0.626  0.127  1.0
  O  O31  1  0.845  0.626  0.627  1.0
  O  O32  1  0.655  0.874  0.127  1.0
  O  O33  1  0.345  0.874  0.627  1.0
  O  O34  1  0.192  0.912  0.437  1.0
  O  O35  1  0.808  0.912  0.937  1.0
[/CIF]
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The material structure described by Li2Ti2O5 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with five equivalent Ti(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Ti(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(1)O4 tetrahedra and corners with five equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to three equivalent Li(1) and one Ti(1) atom to form a mixture of edge and corner-sharing OLi3Ti tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Li2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   5.882
_cell_length_c   15.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.150
_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
  Li  Li0  1  0.819  0.099  0.049  1.0
  Li  Li1  1  0.181  0.099  0.549  1.0
  Li  Li2  1  0.319  0.401  0.049  1.0
  Li  Li3  1  0.681  0.401  0.549  1.0
  Li  Li4  1  0.319  0.599  0.451  1.0
  Li  Li5  1  0.681  0.599  0.951  1.0
  Li  Li6  1  0.819  0.901  0.451  1.0
  Li  Li7  1  0.181  0.901  0.951  1.0
  Ti  Ti8  1  0.310  0.092  0.357  1.0
  Ti  Ti9  1  0.690  0.092  0.857  1.0
  Ti  Ti10  1  0.190  0.408  0.857  1.0
  Ti  Ti11  1  0.810  0.408  0.357  1.0
  Ti  Ti12  1  0.190  0.592  0.643  1.0
  Ti  Ti13  1  0.810  0.592  0.143  1.0
  Ti  Ti14  1  0.310  0.908  0.143  1.0
  Ti  Ti15  1  0.690  0.908  0.643  1.0
  O  O16  1  0.226  0.000  0.250  1.0
  O  O17  1  0.774  0.000  0.750  1.0
  O  O18  1  0.192  0.088  0.063  1.0
  O  O19  1  0.808  0.088  0.563  1.0
  O  O20  1  0.655  0.126  0.373  1.0
  O  O21  1  0.345  0.126  0.873  1.0
  O  O22  1  0.155  0.374  0.373  1.0
  O  O23  1  0.845  0.374  0.873  1.0
  O  O24  1  0.308  0.412  0.563  1.0
  O  O25  1  0.692  0.412  0.063  1.0
  O  O26  1  0.274  0.500  0.750  1.0
  O  O27  1  0.726  0.500  0.250  1.0
  O  O28  1  0.692  0.588  0.437  1.0
  O  O29  1  0.308  0.588  0.937  1.0
  O  O30  1  0.155  0.626  0.127  1.0
  O  O31  1  0.845  0.626  0.627  1.0
  O  O32  1  0.655  0.874  0.127  1.0
  O  O33  1  0.345  0.874  0.627  1.0
  O  O34  1  0.192  0.912  0.437  1.0
  O  O35  1  0.808  0.912  0.937  1.0
[/CIF]
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