The compound described by Ti3P3O13 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the third Ti site, Ti(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Ti(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Ti(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra and  a cornercorner with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra and  a cornercorner with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 45°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Ti(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one P(3) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to one Ti(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the tenth O site, O(9) is bonded in a water-like geometry to one Ti(1) and one P(3) atom. is represented by the CIF file [CIF]
data_Ti3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   7.681
_cell_length_c   10.467
_cell_angle_alpha   81.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.197
_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  0.250  0.647  0.190  1.0
  Ti  Ti1  1  0.750  0.353  0.810  1.0
  Ti  Ti2  1  0.250  0.209  0.442  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Ti  Ti4  1  0.750  0.791  0.558  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.250  0.779  0.481  1.0
  P  P7  1  0.750  0.221  0.519  1.0
  P  P8  1  0.250  0.256  0.765  1.0
  P  P9  1  0.750  0.744  0.235  1.0
  P  P10  1  0.750  0.696  0.880  1.0
  P  P11  1  0.250  0.304  0.120  1.0
  O  O12  1  0.750  0.668  0.734  1.0
  O  O13  1  0.552  0.251  0.435  1.0
  O  O14  1  0.250  0.204  0.627  1.0
  O  O15  1  0.553  0.797  0.912  1.0
  O  O16  1  0.750  0.342  0.622  1.0
  O  O17  1  0.750  0.131  0.902  1.0
  O  O18  1  0.250  0.658  0.378  1.0
  O  O19  1  0.053  0.203  0.088  1.0
  O  O20  1  0.250  0.978  0.414  1.0
  O  O21  1  0.750  0.022  0.586  1.0
  O  O22  1  0.054  0.362  0.788  1.0
  O  O23  1  0.250  0.869  0.098  1.0
  O  O24  1  0.554  0.638  0.212  1.0
  O  O25  1  0.750  0.501  0.946  1.0
  O  O26  1  0.750  0.796  0.373  1.0
  O  O27  1  0.447  0.203  0.088  1.0
  O  O28  1  0.948  0.251  0.435  1.0
  O  O29  1  0.448  0.749  0.565  1.0
  O  O30  1  0.446  0.362  0.788  1.0
  O  O31  1  0.250  0.332  0.266  1.0
  O  O32  1  0.750  0.917  0.131  1.0
  O  O33  1  0.250  0.083  0.869  1.0
  O  O34  1  0.946  0.638  0.212  1.0
  O  O35  1  0.947  0.797  0.912  1.0
  O  O36  1  0.052  0.749  0.565  1.0
  O  O37  1  0.250  0.499  0.054  1.0
[/CIF]
.
The compound described by Ti3P3O13 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the third Ti site, Ti(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Ti(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Ti(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra and  a cornercorner with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra and  a cornercorner with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 45°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Ti(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one P(3) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to one Ti(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the tenth O site, O(9) is bonded in a water-like geometry to one Ti(1) and one P(3) atom. is represented by the CIF file [CIF]
data_Ti3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   7.681
_cell_length_c   10.467
_cell_angle_alpha   81.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.197
_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  0.250  0.647  0.190  1.0
  Ti  Ti1  1  0.750  0.353  0.810  1.0
  Ti  Ti2  1  0.250  0.209  0.442  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Ti  Ti4  1  0.750  0.791  0.558  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.250  0.779  0.481  1.0
  P  P7  1  0.750  0.221  0.519  1.0
  P  P8  1  0.250  0.256  0.765  1.0
  P  P9  1  0.750  0.744  0.235  1.0
  P  P10  1  0.750  0.696  0.880  1.0
  P  P11  1  0.250  0.304  0.120  1.0
  O  O12  1  0.750  0.668  0.734  1.0
  O  O13  1  0.552  0.251  0.435  1.0
  O  O14  1  0.250  0.204  0.627  1.0
  O  O15  1  0.553  0.797  0.912  1.0
  O  O16  1  0.750  0.342  0.622  1.0
  O  O17  1  0.750  0.131  0.902  1.0
  O  O18  1  0.250  0.658  0.378  1.0
  O  O19  1  0.053  0.203  0.088  1.0
  O  O20  1  0.250  0.978  0.414  1.0
  O  O21  1  0.750  0.022  0.586  1.0
  O  O22  1  0.054  0.362  0.788  1.0
  O  O23  1  0.250  0.869  0.098  1.0
  O  O24  1  0.554  0.638  0.212  1.0
  O  O25  1  0.750  0.501  0.946  1.0
  O  O26  1  0.750  0.796  0.373  1.0
  O  O27  1  0.447  0.203  0.088  1.0
  O  O28  1  0.948  0.251  0.435  1.0
  O  O29  1  0.448  0.749  0.565  1.0
  O  O30  1  0.446  0.362  0.788  1.0
  O  O31  1  0.250  0.332  0.266  1.0
  O  O32  1  0.750  0.917  0.131  1.0
  O  O33  1  0.250  0.083  0.869  1.0
  O  O34  1  0.946  0.638  0.212  1.0
  O  O35  1  0.947  0.797  0.912  1.0
  O  O36  1  0.052  0.749  0.565  1.0
  O  O37  1  0.250  0.499  0.054  1.0
[/CIF]
.