The structure described by LiTiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.202
_cell_length_b   5.270
_cell_length_c   14.393
_cell_angle_alpha   68.570
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.168
_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  0.764  0.057  0.744  1.0
  Li  Li1  1  0.264  0.943  0.756  1.0
  Li  Li2  1  0.736  0.057  0.244  1.0
  Li  Li3  1  0.236  0.943  0.256  1.0
  Ti  Ti4  1  0.651  0.674  0.124  1.0
  Ti  Ti5  1  0.151  0.326  0.376  1.0
  Ti  Ti6  1  0.849  0.674  0.624  1.0
  Ti  Ti7  1  0.349  0.326  0.876  1.0
  P  P8  1  0.796  0.328  0.478  1.0
  P  P9  1  0.542  0.457  0.322  1.0
  P  P10  1  0.042  0.543  0.178  1.0
  P  P11  1  0.296  0.672  0.022  1.0
  P  P12  1  0.704  0.328  0.978  1.0
  P  P13  1  0.958  0.457  0.822  1.0
  P  P14  1  0.458  0.543  0.678  1.0
  P  P15  1  0.204  0.672  0.522  1.0
  O  O16  1  0.936  0.263  0.767  1.0
  O  O17  1  0.636  0.721  0.262  1.0
  O  O18  1  0.181  0.405  0.506  1.0
  O  O19  1  0.414  0.708  0.100  1.0
  O  O20  1  0.363  0.522  0.337  1.0
  O  O21  1  0.295  0.925  0.924  1.0
  O  O22  1  0.614  0.330  0.434  1.0
  O  O23  1  0.114  0.670  0.066  1.0
  O  O24  1  0.795  0.075  0.576  1.0
  O  O25  1  0.863  0.478  0.163  1.0
  O  O26  1  0.914  0.292  0.400  1.0
  O  O27  1  0.681  0.595  0.994  1.0
  O  O28  1  0.136  0.279  0.238  1.0
  O  O29  1  0.436  0.737  0.733  1.0
  O  O30  1  0.564  0.263  0.267  1.0
  O  O31  1  0.864  0.721  0.762  1.0
  O  O32  1  0.319  0.405  0.006  1.0
  O  O33  1  0.086  0.708  0.600  1.0
  O  O34  1  0.137  0.522  0.837  1.0
  O  O35  1  0.205  0.925  0.424  1.0
  O  O36  1  0.886  0.330  0.934  1.0
  O  O37  1  0.386  0.670  0.566  1.0
  O  O38  1  0.705  0.075  0.076  1.0
  O  O39  1  0.637  0.478  0.663  1.0
  O  O40  1  0.586  0.292  0.900  1.0
  O  O41  1  0.819  0.595  0.494  1.0
  O  O42  1  0.364  0.279  0.738  1.0
  O  O43  1  0.064  0.737  0.233  1.0
[/CIF]
.
The structure described by LiTiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.202
_cell_length_b   5.270
_cell_length_c   14.393
_cell_angle_alpha   68.570
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.168
_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  0.764  0.057  0.744  1.0
  Li  Li1  1  0.264  0.943  0.756  1.0
  Li  Li2  1  0.736  0.057  0.244  1.0
  Li  Li3  1  0.236  0.943  0.256  1.0
  Ti  Ti4  1  0.651  0.674  0.124  1.0
  Ti  Ti5  1  0.151  0.326  0.376  1.0
  Ti  Ti6  1  0.849  0.674  0.624  1.0
  Ti  Ti7  1  0.349  0.326  0.876  1.0
  P  P8  1  0.796  0.328  0.478  1.0
  P  P9  1  0.542  0.457  0.322  1.0
  P  P10  1  0.042  0.543  0.178  1.0
  P  P11  1  0.296  0.672  0.022  1.0
  P  P12  1  0.704  0.328  0.978  1.0
  P  P13  1  0.958  0.457  0.822  1.0
  P  P14  1  0.458  0.543  0.678  1.0
  P  P15  1  0.204  0.672  0.522  1.0
  O  O16  1  0.936  0.263  0.767  1.0
  O  O17  1  0.636  0.721  0.262  1.0
  O  O18  1  0.181  0.405  0.506  1.0
  O  O19  1  0.414  0.708  0.100  1.0
  O  O20  1  0.363  0.522  0.337  1.0
  O  O21  1  0.295  0.925  0.924  1.0
  O  O22  1  0.614  0.330  0.434  1.0
  O  O23  1  0.114  0.670  0.066  1.0
  O  O24  1  0.795  0.075  0.576  1.0
  O  O25  1  0.863  0.478  0.163  1.0
  O  O26  1  0.914  0.292  0.400  1.0
  O  O27  1  0.681  0.595  0.994  1.0
  O  O28  1  0.136  0.279  0.238  1.0
  O  O29  1  0.436  0.737  0.733  1.0
  O  O30  1  0.564  0.263  0.267  1.0
  O  O31  1  0.864  0.721  0.762  1.0
  O  O32  1  0.319  0.405  0.006  1.0
  O  O33  1  0.086  0.708  0.600  1.0
  O  O34  1  0.137  0.522  0.837  1.0
  O  O35  1  0.205  0.925  0.424  1.0
  O  O36  1  0.886  0.330  0.934  1.0
  O  O37  1  0.386  0.670  0.566  1.0
  O  O38  1  0.705  0.075  0.076  1.0
  O  O39  1  0.637  0.478  0.663  1.0
  O  O40  1  0.586  0.292  0.900  1.0
  O  O41  1  0.819  0.595  0.494  1.0
  O  O42  1  0.364  0.279  0.738  1.0
  O  O43  1  0.064  0.737  0.233  1.0
[/CIF]
.