The crystal structure described by CsTi2P3(O5F2)2 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(5), two equivalent F(1), and four equivalent F(2) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(2) atom to form TiO5F octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O3F tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form PO3F tetrahedra that share corners with three equivalent Ti(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 27-28°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Ti(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) 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(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one Ti(1), and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one P(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_CsTi2P3(O5F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.645
_cell_length_b   8.434
_cell_length_c   8.990
_cell_angle_alpha   82.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   650.581
_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
  Cs  Cs0  1  0.602  0.500  0.750  1.0
  Cs  Cs1  1  0.398  0.500  0.250  1.0
  Ti  Ti2  1  0.254  0.839  0.546  1.0
  Ti  Ti3  1  0.254  0.161  0.954  1.0
  Ti  Ti4  1  0.746  0.161  0.454  1.0
  Ti  Ti5  1  0.746  0.839  0.046  1.0
  P  P6  1  0.900  0.800  0.397  1.0
  P  P7  1  0.900  0.200  0.103  1.0
  P  P8  1  0.100  0.200  0.603  1.0
  P  P9  1  0.100  0.800  0.897  1.0
  P  P10  1  0.531  0.000  0.750  1.0
  P  P11  1  0.469  0.000  0.250  1.0
  O  O12  1  0.367  0.892  0.361  1.0
  O  O13  1  0.367  0.108  0.139  1.0
  O  O14  1  0.633  0.108  0.639  1.0
  O  O15  1  0.633  0.892  0.861  1.0
  O  O16  1  0.183  0.065  0.539  1.0
  O  O17  1  0.183  0.935  0.961  1.0
  O  O18  1  0.817  0.935  0.461  1.0
  O  O19  1  0.817  0.065  0.039  1.0
  O  O20  1  0.131  0.789  0.733  1.0
  O  O21  1  0.131  0.211  0.767  1.0
  O  O22  1  0.869  0.211  0.267  1.0
  O  O23  1  0.869  0.789  0.233  1.0
  O  O24  1  0.071  0.788  0.432  1.0
  O  O25  1  0.071  0.212  0.068  1.0
  O  O26  1  0.929  0.212  0.568  1.0
  O  O27  1  0.929  0.788  0.932  1.0
  O  O28  1  0.431  0.888  0.667  1.0
  O  O29  1  0.431  0.112  0.833  1.0
  O  O30  1  0.569  0.112  0.333  1.0
  O  O31  1  0.569  0.888  0.167  1.0
  F  F32  1  0.827  0.644  0.485  1.0
  F  F33  1  0.827  0.356  0.015  1.0
  F  F34  1  0.173  0.356  0.515  1.0
  F  F35  1  0.173  0.644  0.985  1.0
  F  F36  1  0.318  0.630  0.559  1.0
  F  F37  1  0.318  0.370  0.941  1.0
  F  F38  1  0.682  0.370  0.441  1.0
  F  F39  1  0.682  0.630  0.059  1.0
[/CIF]
.
The crystal structure described by CsTi2P3(O5F2)2 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(5), two equivalent F(1), and four equivalent F(2) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(2) atom to form TiO5F octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O3F tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form PO3F tetrahedra that share corners with three equivalent Ti(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 27-28°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Ti(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) 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(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one Ti(1), and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one P(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_CsTi2P3(O5F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.645
_cell_length_b   8.434
_cell_length_c   8.990
_cell_angle_alpha   82.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   650.581
_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
  Cs  Cs0  1  0.602  0.500  0.750  1.0
  Cs  Cs1  1  0.398  0.500  0.250  1.0
  Ti  Ti2  1  0.254  0.839  0.546  1.0
  Ti  Ti3  1  0.254  0.161  0.954  1.0
  Ti  Ti4  1  0.746  0.161  0.454  1.0
  Ti  Ti5  1  0.746  0.839  0.046  1.0
  P  P6  1  0.900  0.800  0.397  1.0
  P  P7  1  0.900  0.200  0.103  1.0
  P  P8  1  0.100  0.200  0.603  1.0
  P  P9  1  0.100  0.800  0.897  1.0
  P  P10  1  0.531  0.000  0.750  1.0
  P  P11  1  0.469  0.000  0.250  1.0
  O  O12  1  0.367  0.892  0.361  1.0
  O  O13  1  0.367  0.108  0.139  1.0
  O  O14  1  0.633  0.108  0.639  1.0
  O  O15  1  0.633  0.892  0.861  1.0
  O  O16  1  0.183  0.065  0.539  1.0
  O  O17  1  0.183  0.935  0.961  1.0
  O  O18  1  0.817  0.935  0.461  1.0
  O  O19  1  0.817  0.065  0.039  1.0
  O  O20  1  0.131  0.789  0.733  1.0
  O  O21  1  0.131  0.211  0.767  1.0
  O  O22  1  0.869  0.211  0.267  1.0
  O  O23  1  0.869  0.789  0.233  1.0
  O  O24  1  0.071  0.788  0.432  1.0
  O  O25  1  0.071  0.212  0.068  1.0
  O  O26  1  0.929  0.212  0.568  1.0
  O  O27  1  0.929  0.788  0.932  1.0
  O  O28  1  0.431  0.888  0.667  1.0
  O  O29  1  0.431  0.112  0.833  1.0
  O  O30  1  0.569  0.112  0.333  1.0
  O  O31  1  0.569  0.888  0.167  1.0
  F  F32  1  0.827  0.644  0.485  1.0
  F  F33  1  0.827  0.356  0.015  1.0
  F  F34  1  0.173  0.356  0.515  1.0
  F  F35  1  0.173  0.644  0.985  1.0
  F  F36  1  0.318  0.630  0.559  1.0
  F  F37  1  0.318  0.370  0.941  1.0
  F  F38  1  0.682  0.370  0.441  1.0
  F  F39  1  0.682  0.630  0.059  1.0
[/CIF]
.