The material structure described by Ti2P2O11 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(11), one O(3), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-30°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-43°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ti(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ti(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2P2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   9.128
_cell_length_c   9.846
_cell_angle_alpha   74.065
_cell_angle_beta   85.825
_cell_angle_gamma   84.635
_symmetry_Int_Tables_number   1
_cell_volume   450.716
_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
  Ti  Ti0  1  0.576  0.884  0.295  1.0
  Ti  Ti1  1  0.424  0.116  0.705  1.0
  Ti  Ti2  1  0.763  0.260  0.160  1.0
  Ti  Ti3  1  0.237  0.740  0.840  1.0
  P  P4  1  0.282  0.337  0.928  1.0
  P  P5  1  0.718  0.663  0.072  1.0
  P  P6  1  0.248  0.181  0.373  1.0
  P  P7  1  0.752  0.819  0.627  1.0
  O  O8  1  0.227  0.510  0.878  1.0
  O  O9  1  0.773  0.490  0.122  1.0
  O  O10  1  0.548  0.303  0.992  1.0
  O  O11  1  0.452  0.697  0.008  1.0
  O  O12  1  0.285  0.267  0.800  1.0
  O  O13  1  0.715  0.733  0.200  1.0
  O  O14  1  0.074  0.261  0.036  1.0
  O  O15  1  0.926  0.739  0.964  1.0
  O  O16  1  0.978  0.237  0.320  1.0
  O  O17  1  0.022  0.763  0.680  1.0
  O  O18  1  0.449  0.280  0.279  1.0
  O  O19  1  0.551  0.720  0.721  1.0
  O  O20  1  0.309  0.009  0.378  1.0
  O  O21  1  0.691  0.991  0.622  1.0
  O  O22  1  0.746  0.809  0.473  1.0
  O  O23  1  0.254  0.191  0.527  1.0
  O  O24  1  0.734  0.054  0.196  1.0
  O  O25  1  0.266  0.946  0.804  1.0
  O  O26  1  0.272  0.901  0.187  1.0
  O  O27  1  0.728  0.099  0.813  1.0
  O  O28  1  0.334  0.704  0.370  1.0
  O  O29  1  0.666  0.296  0.630  1.0
[/CIF]
.
The material structure described by Ti2P2O11 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(11), one O(3), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-30°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-43°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ti(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ti(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2P2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   9.128
_cell_length_c   9.846
_cell_angle_alpha   74.065
_cell_angle_beta   85.825
_cell_angle_gamma   84.635
_symmetry_Int_Tables_number   1
_cell_volume   450.716
_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
  Ti  Ti0  1  0.576  0.884  0.295  1.0
  Ti  Ti1  1  0.424  0.116  0.705  1.0
  Ti  Ti2  1  0.763  0.260  0.160  1.0
  Ti  Ti3  1  0.237  0.740  0.840  1.0
  P  P4  1  0.282  0.337  0.928  1.0
  P  P5  1  0.718  0.663  0.072  1.0
  P  P6  1  0.248  0.181  0.373  1.0
  P  P7  1  0.752  0.819  0.627  1.0
  O  O8  1  0.227  0.510  0.878  1.0
  O  O9  1  0.773  0.490  0.122  1.0
  O  O10  1  0.548  0.303  0.992  1.0
  O  O11  1  0.452  0.697  0.008  1.0
  O  O12  1  0.285  0.267  0.800  1.0
  O  O13  1  0.715  0.733  0.200  1.0
  O  O14  1  0.074  0.261  0.036  1.0
  O  O15  1  0.926  0.739  0.964  1.0
  O  O16  1  0.978  0.237  0.320  1.0
  O  O17  1  0.022  0.763  0.680  1.0
  O  O18  1  0.449  0.280  0.279  1.0
  O  O19  1  0.551  0.720  0.721  1.0
  O  O20  1  0.309  0.009  0.378  1.0
  O  O21  1  0.691  0.991  0.622  1.0
  O  O22  1  0.746  0.809  0.473  1.0
  O  O23  1  0.254  0.191  0.527  1.0
  O  O24  1  0.734  0.054  0.196  1.0
  O  O25  1  0.266  0.946  0.804  1.0
  O  O26  1  0.272  0.901  0.187  1.0
  O  O27  1  0.728  0.099  0.813  1.0
  O  O28  1  0.334  0.704  0.370  1.0
  O  O29  1  0.666  0.296  0.630  1.0
[/CIF]
.