The crystal structure described by Cs2Ti(PO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(8), two equivalent O(4), and two equivalent O(7) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form distorted TiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. 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 P(1)O4 tetrahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(1) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one P(1), and one P(2) atom. In the third O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Ti(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(2) atom. In the fifth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Ti(1), and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Ti(1), and one P(1) atom. In the seventh O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Ti(1), and one P(1) atom. In the eighth O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Ti(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.363
_cell_length_b   9.484
_cell_length_c   14.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   980.111
_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
  Cs  Cs0  1  0.775  0.615  0.079  1.0
  Cs  Cs1  1  0.275  0.885  0.921  1.0
  Cs  Cs2  1  0.225  0.115  0.421  1.0
  Cs  Cs3  1  0.725  0.385  0.579  1.0
  Cs  Cs4  1  0.265  0.343  0.095  1.0
  Cs  Cs5  1  0.765  0.157  0.905  1.0
  Cs  Cs6  1  0.735  0.843  0.405  1.0
  Cs  Cs7  1  0.235  0.657  0.595  1.0
  Ti  Ti8  1  0.745  0.744  0.799  1.0
  Ti  Ti9  1  0.245  0.756  0.201  1.0
  Ti  Ti10  1  0.255  0.244  0.701  1.0
  Ti  Ti11  1  0.755  0.256  0.299  1.0
  P  P12  1  0.026  0.528  0.343  1.0
  P  P13  1  0.526  0.972  0.657  1.0
  P  P14  1  0.974  0.028  0.157  1.0
  P  P15  1  0.474  0.472  0.843  1.0
  P  P16  1  0.924  0.992  0.664  1.0
  P  P17  1  0.424  0.508  0.336  1.0
  P  P18  1  0.076  0.492  0.836  1.0
  P  P19  1  0.576  0.008  0.164  1.0
  O  O20  1  0.064  0.666  0.287  1.0
  O  O21  1  0.564  0.834  0.713  1.0
  O  O22  1  0.936  0.166  0.213  1.0
  O  O23  1  0.436  0.334  0.787  1.0
  O  O24  1  0.901  0.433  0.281  1.0
  O  O25  1  0.401  0.067  0.719  1.0
  O  O26  1  0.099  0.933  0.219  1.0
  O  O27  1  0.599  0.567  0.781  1.0
  O  O28  1  0.310  0.301  0.592  1.0
  O  O29  1  0.810  0.199  0.408  1.0
  O  O30  1  0.690  0.801  0.908  1.0
  O  O31  1  0.190  0.699  0.092  1.0
  O  O32  1  0.962  0.554  0.443  1.0
  O  O33  1  0.462  0.946  0.557  1.0
  O  O34  1  0.038  0.054  0.057  1.0
  O  O35  1  0.538  0.446  0.943  1.0
  O  O36  1  0.218  0.441  0.344  1.0
  O  O37  1  0.718  0.059  0.656  1.0
  O  O38  1  0.782  0.941  0.156  1.0
  O  O39  1  0.282  0.559  0.844  1.0
  O  O40  1  0.533  0.374  0.312  1.0
  O  O41  1  0.033  0.126  0.688  1.0
  O  O42  1  0.467  0.874  0.188  1.0
  O  O43  1  0.967  0.626  0.812  1.0
  O  O44  1  0.476  0.581  0.427  1.0
  O  O45  1  0.976  0.919  0.573  1.0
  O  O46  1  0.524  0.081  0.073  1.0
  O  O47  1  0.024  0.419  0.927  1.0
  O  O48  1  0.583  0.104  0.254  1.0
  O  O49  1  0.083  0.396  0.746  1.0
  O  O50  1  0.417  0.604  0.246  1.0
  O  O51  1  0.917  0.896  0.754  1.0
[/CIF]
.
The crystal structure described by Cs2Ti(PO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(8), two equivalent O(4), and two equivalent O(7) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form distorted TiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. 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 P(1)O4 tetrahedra and corners with two equivalent Ti(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(1) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one P(1), and one P(2) atom. In the third O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Ti(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(2) atom. In the fifth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Ti(1), and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Ti(1), and one P(1) atom. In the seventh O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Ti(1), and one P(1) atom. In the eighth O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Ti(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.363
_cell_length_b   9.484
_cell_length_c   14.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   980.111
_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
  Cs  Cs0  1  0.775  0.615  0.079  1.0
  Cs  Cs1  1  0.275  0.885  0.921  1.0
  Cs  Cs2  1  0.225  0.115  0.421  1.0
  Cs  Cs3  1  0.725  0.385  0.579  1.0
  Cs  Cs4  1  0.265  0.343  0.095  1.0
  Cs  Cs5  1  0.765  0.157  0.905  1.0
  Cs  Cs6  1  0.735  0.843  0.405  1.0
  Cs  Cs7  1  0.235  0.657  0.595  1.0
  Ti  Ti8  1  0.745  0.744  0.799  1.0
  Ti  Ti9  1  0.245  0.756  0.201  1.0
  Ti  Ti10  1  0.255  0.244  0.701  1.0
  Ti  Ti11  1  0.755  0.256  0.299  1.0
  P  P12  1  0.026  0.528  0.343  1.0
  P  P13  1  0.526  0.972  0.657  1.0
  P  P14  1  0.974  0.028  0.157  1.0
  P  P15  1  0.474  0.472  0.843  1.0
  P  P16  1  0.924  0.992  0.664  1.0
  P  P17  1  0.424  0.508  0.336  1.0
  P  P18  1  0.076  0.492  0.836  1.0
  P  P19  1  0.576  0.008  0.164  1.0
  O  O20  1  0.064  0.666  0.287  1.0
  O  O21  1  0.564  0.834  0.713  1.0
  O  O22  1  0.936  0.166  0.213  1.0
  O  O23  1  0.436  0.334  0.787  1.0
  O  O24  1  0.901  0.433  0.281  1.0
  O  O25  1  0.401  0.067  0.719  1.0
  O  O26  1  0.099  0.933  0.219  1.0
  O  O27  1  0.599  0.567  0.781  1.0
  O  O28  1  0.310  0.301  0.592  1.0
  O  O29  1  0.810  0.199  0.408  1.0
  O  O30  1  0.690  0.801  0.908  1.0
  O  O31  1  0.190  0.699  0.092  1.0
  O  O32  1  0.962  0.554  0.443  1.0
  O  O33  1  0.462  0.946  0.557  1.0
  O  O34  1  0.038  0.054  0.057  1.0
  O  O35  1  0.538  0.446  0.943  1.0
  O  O36  1  0.218  0.441  0.344  1.0
  O  O37  1  0.718  0.059  0.656  1.0
  O  O38  1  0.782  0.941  0.156  1.0
  O  O39  1  0.282  0.559  0.844  1.0
  O  O40  1  0.533  0.374  0.312  1.0
  O  O41  1  0.033  0.126  0.688  1.0
  O  O42  1  0.467  0.874  0.188  1.0
  O  O43  1  0.967  0.626  0.812  1.0
  O  O44  1  0.476  0.581  0.427  1.0
  O  O45  1  0.976  0.919  0.573  1.0
  O  O46  1  0.524  0.081  0.073  1.0
  O  O47  1  0.024  0.419  0.927  1.0
  O  O48  1  0.583  0.104  0.254  1.0
  O  O49  1  0.083  0.396  0.746  1.0
  O  O50  1  0.417  0.604  0.246  1.0
  O  O51  1  0.917  0.896  0.754  1.0
[/CIF]
.