The compound described by La2Ti2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ti site, Ti(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded to four equivalent La(1) and two equivalent Ti(2) atoms to form distorted face-sharing OLa4Ti2 octahedra. is represented by the CIF file [CIF]
data_La2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.840
_cell_length_b   8.840
_cell_length_c   8.840
_cell_angle_alpha   143.476
_cell_angle_beta   143.133
_cell_angle_gamma   52.869
_symmetry_Int_Tables_number   1
_cell_volume   245.137
_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
  La  La0  1  0.876  0.381  0.507  1.0
  La  La1  1  0.124  0.631  0.505  1.0
  La  La2  1  0.374  0.881  0.505  1.0
  La  La3  1  0.626  0.131  0.507  1.0
  Ti  Ti4  1  0.000  0.006  0.006  1.0
  Ti  Ti5  1  0.500  0.506  0.006  1.0
  Ti  Ti6  1  0.738  0.762  0.001  1.0
  Ti  Ti7  1  0.262  0.262  0.024  1.0
  O  O8  1  0.763  0.769  0.507  1.0
  O  O9  1  0.237  0.744  0.005  1.0
  O  O10  1  0.762  0.269  0.005  1.0
  O  O11  1  0.238  0.244  0.507  1.0
  O  O12  1  0.826  0.882  0.961  1.0
  O  O13  1  0.174  0.135  0.055  1.0
  O  O14  1  0.420  0.382  0.055  1.0
  O  O15  1  0.580  0.635  0.961  1.0
  O  O16  1  0.986  0.027  0.513  1.0
  O  O17  1  0.014  0.527  0.040  1.0
[/CIF]
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The compound described by La2Ti2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ti site, Ti(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded to four equivalent La(1) and two equivalent Ti(2) atoms to form distorted face-sharing OLa4Ti2 octahedra. is represented by the CIF file [CIF]
data_La2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.840
_cell_length_b   8.840
_cell_length_c   8.840
_cell_angle_alpha   143.476
_cell_angle_beta   143.133
_cell_angle_gamma   52.869
_symmetry_Int_Tables_number   1
_cell_volume   245.137
_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
  La  La0  1  0.876  0.381  0.507  1.0
  La  La1  1  0.124  0.631  0.505  1.0
  La  La2  1  0.374  0.881  0.505  1.0
  La  La3  1  0.626  0.131  0.507  1.0
  Ti  Ti4  1  0.000  0.006  0.006  1.0
  Ti  Ti5  1  0.500  0.506  0.006  1.0
  Ti  Ti6  1  0.738  0.762  0.001  1.0
  Ti  Ti7  1  0.262  0.262  0.024  1.0
  O  O8  1  0.763  0.769  0.507  1.0
  O  O9  1  0.237  0.744  0.005  1.0
  O  O10  1  0.762  0.269  0.005  1.0
  O  O11  1  0.238  0.244  0.507  1.0
  O  O12  1  0.826  0.882  0.961  1.0
  O  O13  1  0.174  0.135  0.055  1.0
  O  O14  1  0.420  0.382  0.055  1.0
  O  O15  1  0.580  0.635  0.961  1.0
  O  O16  1  0.986  0.027  0.513  1.0
  O  O17  1  0.014  0.527  0.040  1.0
[/CIF]
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