The crystal structure described by TiP2O7 crystallizes in the cubic Pa-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.133
_cell_length_b   8.133
_cell_length_c   8.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.900
_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
  Ti  Ti0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.111  0.889  0.389  1.0
  P  P5  1  0.889  0.389  0.111  1.0
  P  P6  1  0.389  0.111  0.889  1.0
  P  P7  1  0.611  0.611  0.611  1.0
  P  P8  1  0.889  0.111  0.611  1.0
  P  P9  1  0.111  0.611  0.889  1.0
  P  P10  1  0.611  0.889  0.111  1.0
  P  P11  1  0.389  0.389  0.389  1.0
  O  O12  1  0.085  0.942  0.214  1.0
  O  O13  1  0.915  0.442  0.286  1.0
  O  O14  1  0.415  0.058  0.714  1.0
  O  O15  1  0.585  0.558  0.786  1.0
  O  O16  1  0.214  0.085  0.942  1.0
  O  O17  1  0.286  0.915  0.442  1.0
  O  O18  1  0.714  0.415  0.058  1.0
  O  O19  1  0.786  0.585  0.558  1.0
  O  O20  1  0.942  0.214  0.085  1.0
  O  O21  1  0.442  0.286  0.915  1.0
  O  O22  1  0.058  0.714  0.415  1.0
  O  O23  1  0.558  0.786  0.585  1.0
  O  O24  1  0.915  0.058  0.786  1.0
  O  O25  1  0.085  0.558  0.714  1.0
  O  O26  1  0.585  0.942  0.286  1.0
  O  O27  1  0.415  0.442  0.214  1.0
  O  O28  1  0.786  0.915  0.058  1.0
  O  O29  1  0.714  0.085  0.558  1.0
  O  O30  1  0.286  0.585  0.942  1.0
  O  O31  1  0.214  0.415  0.442  1.0
  O  O32  1  0.058  0.786  0.915  1.0
  O  O33  1  0.558  0.714  0.085  1.0
  O  O34  1  0.942  0.286  0.585  1.0
  O  O35  1  0.442  0.214  0.415  1.0
  O  O36  1  0.000  0.000  0.500  1.0
  O  O37  1  0.000  0.500  0.000  1.0
  O  O38  1  0.500  0.000  0.000  1.0
  O  O39  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by TiP2O7 crystallizes in the cubic Pa-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.133
_cell_length_b   8.133
_cell_length_c   8.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.900
_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
  Ti  Ti0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.111  0.889  0.389  1.0
  P  P5  1  0.889  0.389  0.111  1.0
  P  P6  1  0.389  0.111  0.889  1.0
  P  P7  1  0.611  0.611  0.611  1.0
  P  P8  1  0.889  0.111  0.611  1.0
  P  P9  1  0.111  0.611  0.889  1.0
  P  P10  1  0.611  0.889  0.111  1.0
  P  P11  1  0.389  0.389  0.389  1.0
  O  O12  1  0.085  0.942  0.214  1.0
  O  O13  1  0.915  0.442  0.286  1.0
  O  O14  1  0.415  0.058  0.714  1.0
  O  O15  1  0.585  0.558  0.786  1.0
  O  O16  1  0.214  0.085  0.942  1.0
  O  O17  1  0.286  0.915  0.442  1.0
  O  O18  1  0.714  0.415  0.058  1.0
  O  O19  1  0.786  0.585  0.558  1.0
  O  O20  1  0.942  0.214  0.085  1.0
  O  O21  1  0.442  0.286  0.915  1.0
  O  O22  1  0.058  0.714  0.415  1.0
  O  O23  1  0.558  0.786  0.585  1.0
  O  O24  1  0.915  0.058  0.786  1.0
  O  O25  1  0.085  0.558  0.714  1.0
  O  O26  1  0.585  0.942  0.286  1.0
  O  O27  1  0.415  0.442  0.214  1.0
  O  O28  1  0.786  0.915  0.058  1.0
  O  O29  1  0.714  0.085  0.558  1.0
  O  O30  1  0.286  0.585  0.942  1.0
  O  O31  1  0.214  0.415  0.442  1.0
  O  O32  1  0.058  0.786  0.915  1.0
  O  O33  1  0.558  0.714  0.085  1.0
  O  O34  1  0.942  0.286  0.585  1.0
  O  O35  1  0.442  0.214  0.415  1.0
  O  O36  1  0.000  0.000  0.500  1.0
  O  O37  1  0.000  0.500  0.000  1.0
  O  O38  1  0.500  0.000  0.000  1.0
  O  O39  1  0.500  0.500  0.500  1.0
[/CIF]
.