The structure described by (Ti3(P2O9)2)2N2 crystallizes in the triclinic P-1 space group. The structure consists of one ammonia atom inside a Ti3(P2O9)2 framework. In the Ti3(P2O9)2 framework, there are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. 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 21-49°. 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  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 12-42°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 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(2) 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 linear 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 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(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the CIF card [CIF]
data_Ti3P4NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.224
_cell_length_b   8.345
_cell_length_c   8.903
_cell_angle_alpha   109.112
_cell_angle_beta   92.230
_cell_angle_gamma   91.909
_symmetry_Int_Tables_number   1
_cell_volume   366.000
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.736  0.270  0.572  1.0
  Ti  Ti2  1  0.264  0.730  0.428  1.0
  P  P3  1  0.252  0.125  0.705  1.0
  P  P4  1  0.748  0.875  0.295  1.0
  P  P5  1  0.793  0.681  0.658  1.0
  P  P6  1  0.207  0.319  0.342  1.0
  N  N7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.197  0.074  0.854  1.0
  O  O9  1  0.803  0.926  0.146  1.0
  O  O10  1  0.518  0.218  0.728  1.0
  O  O11  1  0.482  0.782  0.272  1.0
  O  O12  1  0.245  0.967  0.556  1.0
  O  O13  1  0.755  0.033  0.444  1.0
  O  O14  1  0.040  0.246  0.691  1.0
  O  O15  1  0.960  0.754  0.309  1.0
  O  O16  1  0.424  0.278  0.442  1.0
  O  O17  1  0.576  0.722  0.558  1.0
  O  O18  1  0.730  0.513  0.688  1.0
  O  O19  1  0.270  0.487  0.312  1.0
  O  O20  1  0.812  0.827  0.823  1.0
  O  O21  1  0.188  0.173  0.177  1.0
  O  O22  1  0.051  0.675  0.582  1.0
  O  O23  1  0.949  0.325  0.418  1.0
  O  O24  1  0.215  0.801  0.972  1.0
  O  O25  1  0.785  0.199  0.028  1.0
[/CIF]
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The structure described by (Ti3(P2O9)2)2N2 crystallizes in the triclinic P-1 space group. The structure consists of one ammonia atom inside a Ti3(P2O9)2 framework. In the Ti3(P2O9)2 framework, there are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. 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 21-49°. 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  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 12-42°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 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(2) 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 linear 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 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(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the CIF card [CIF]
data_Ti3P4NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.224
_cell_length_b   8.345
_cell_length_c   8.903
_cell_angle_alpha   109.112
_cell_angle_beta   92.230
_cell_angle_gamma   91.909
_symmetry_Int_Tables_number   1
_cell_volume   366.000
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.736  0.270  0.572  1.0
  Ti  Ti2  1  0.264  0.730  0.428  1.0
  P  P3  1  0.252  0.125  0.705  1.0
  P  P4  1  0.748  0.875  0.295  1.0
  P  P5  1  0.793  0.681  0.658  1.0
  P  P6  1  0.207  0.319  0.342  1.0
  N  N7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.197  0.074  0.854  1.0
  O  O9  1  0.803  0.926  0.146  1.0
  O  O10  1  0.518  0.218  0.728  1.0
  O  O11  1  0.482  0.782  0.272  1.0
  O  O12  1  0.245  0.967  0.556  1.0
  O  O13  1  0.755  0.033  0.444  1.0
  O  O14  1  0.040  0.246  0.691  1.0
  O  O15  1  0.960  0.754  0.309  1.0
  O  O16  1  0.424  0.278  0.442  1.0
  O  O17  1  0.576  0.722  0.558  1.0
  O  O18  1  0.730  0.513  0.688  1.0
  O  O19  1  0.270  0.487  0.312  1.0
  O  O20  1  0.812  0.827  0.823  1.0
  O  O21  1  0.188  0.173  0.177  1.0
  O  O22  1  0.051  0.675  0.582  1.0
  O  O23  1  0.949  0.325  0.418  1.0
  O  O24  1  0.215  0.801  0.972  1.0
  O  O25  1  0.785  0.199  0.028  1.0
[/CIF]
.