The compound described by Cs2Ti(PO4)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first 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 second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Cs(2), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Cs2Ti(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.379
_cell_length_b   9.647
_cell_length_c   13.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   983.849
_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  0.750  0.092  0.603  1.0
  Cs  Cs1  1  0.250  0.127  0.084  1.0
  Cs  Cs2  1  0.750  0.873  0.916  1.0
  Cs  Cs3  1  0.750  0.408  0.103  1.0
  Cs  Cs4  1  0.750  0.627  0.416  1.0
  Cs  Cs5  1  0.250  0.592  0.897  1.0
  Cs  Cs6  1  0.250  0.373  0.584  1.0
  Cs  Cs7  1  0.250  0.908  0.397  1.0
  Ti  Ti8  1  0.750  0.517  0.709  1.0
  Ti  Ti9  1  0.750  0.983  0.209  1.0
  Ti  Ti10  1  0.250  0.483  0.291  1.0
  Ti  Ti11  1  0.250  0.017  0.791  1.0
  P  P12  1  0.048  0.726  0.154  1.0
  P  P13  1  0.452  0.726  0.154  1.0
  P  P14  1  0.548  0.226  0.346  1.0
  P  P15  1  0.952  0.274  0.846  1.0
  P  P16  1  0.548  0.274  0.846  1.0
  P  P17  1  0.452  0.774  0.654  1.0
  P  P18  1  0.048  0.774  0.654  1.0
  P  P19  1  0.952  0.226  0.346  1.0
  O  O20  1  0.066  0.905  0.718  1.0
  O  O21  1  0.750  0.448  0.598  1.0
  O  O22  1  0.562  0.665  0.710  1.0
  O  O23  1  0.485  0.305  0.947  1.0
  O  O24  1  0.250  0.948  0.902  1.0
  O  O25  1  0.562  0.835  0.210  1.0
  O  O26  1  0.750  0.297  0.348  1.0
  O  O27  1  0.438  0.335  0.290  1.0
  O  O28  1  0.934  0.405  0.782  1.0
  O  O29  1  0.515  0.805  0.553  1.0
  O  O30  1  0.566  0.405  0.782  1.0
  O  O31  1  0.485  0.195  0.447  1.0
  O  O32  1  0.250  0.797  0.152  1.0
  O  O33  1  0.566  0.095  0.282  1.0
  O  O34  1  0.062  0.165  0.790  1.0
  O  O35  1  0.938  0.665  0.710  1.0
  O  O36  1  0.750  0.052  0.098  1.0
  O  O37  1  0.015  0.305  0.947  1.0
  O  O38  1  0.062  0.335  0.290  1.0
  O  O39  1  0.985  0.695  0.053  1.0
  O  O40  1  0.985  0.805  0.553  1.0
  O  O41  1  0.515  0.695  0.053  1.0
  O  O42  1  0.434  0.595  0.218  1.0
  O  O43  1  0.250  0.703  0.652  1.0
  O  O44  1  0.438  0.165  0.790  1.0
  O  O45  1  0.938  0.835  0.210  1.0
  O  O46  1  0.750  0.203  0.848  1.0
  O  O47  1  0.934  0.095  0.282  1.0
  O  O48  1  0.250  0.552  0.402  1.0
  O  O49  1  0.066  0.595  0.218  1.0
  O  O50  1  0.015  0.195  0.447  1.0
  O  O51  1  0.434  0.905  0.718  1.0
[/CIF]
.
The compound described by Cs2Ti(PO4)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first 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 second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Cs(2), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Cs2Ti(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.379
_cell_length_b   9.647
_cell_length_c   13.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   983.849
_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  0.750  0.092  0.603  1.0
  Cs  Cs1  1  0.250  0.127  0.084  1.0
  Cs  Cs2  1  0.750  0.873  0.916  1.0
  Cs  Cs3  1  0.750  0.408  0.103  1.0
  Cs  Cs4  1  0.750  0.627  0.416  1.0
  Cs  Cs5  1  0.250  0.592  0.897  1.0
  Cs  Cs6  1  0.250  0.373  0.584  1.0
  Cs  Cs7  1  0.250  0.908  0.397  1.0
  Ti  Ti8  1  0.750  0.517  0.709  1.0
  Ti  Ti9  1  0.750  0.983  0.209  1.0
  Ti  Ti10  1  0.250  0.483  0.291  1.0
  Ti  Ti11  1  0.250  0.017  0.791  1.0
  P  P12  1  0.048  0.726  0.154  1.0
  P  P13  1  0.452  0.726  0.154  1.0
  P  P14  1  0.548  0.226  0.346  1.0
  P  P15  1  0.952  0.274  0.846  1.0
  P  P16  1  0.548  0.274  0.846  1.0
  P  P17  1  0.452  0.774  0.654  1.0
  P  P18  1  0.048  0.774  0.654  1.0
  P  P19  1  0.952  0.226  0.346  1.0
  O  O20  1  0.066  0.905  0.718  1.0
  O  O21  1  0.750  0.448  0.598  1.0
  O  O22  1  0.562  0.665  0.710  1.0
  O  O23  1  0.485  0.305  0.947  1.0
  O  O24  1  0.250  0.948  0.902  1.0
  O  O25  1  0.562  0.835  0.210  1.0
  O  O26  1  0.750  0.297  0.348  1.0
  O  O27  1  0.438  0.335  0.290  1.0
  O  O28  1  0.934  0.405  0.782  1.0
  O  O29  1  0.515  0.805  0.553  1.0
  O  O30  1  0.566  0.405  0.782  1.0
  O  O31  1  0.485  0.195  0.447  1.0
  O  O32  1  0.250  0.797  0.152  1.0
  O  O33  1  0.566  0.095  0.282  1.0
  O  O34  1  0.062  0.165  0.790  1.0
  O  O35  1  0.938  0.665  0.710  1.0
  O  O36  1  0.750  0.052  0.098  1.0
  O  O37  1  0.015  0.305  0.947  1.0
  O  O38  1  0.062  0.335  0.290  1.0
  O  O39  1  0.985  0.695  0.053  1.0
  O  O40  1  0.985  0.805  0.553  1.0
  O  O41  1  0.515  0.695  0.053  1.0
  O  O42  1  0.434  0.595  0.218  1.0
  O  O43  1  0.250  0.703  0.652  1.0
  O  O44  1  0.438  0.165  0.790  1.0
  O  O45  1  0.938  0.835  0.210  1.0
  O  O46  1  0.750  0.203  0.848  1.0
  O  O47  1  0.934  0.095  0.282  1.0
  O  O48  1  0.250  0.552  0.402  1.0
  O  O49  1  0.066  0.595  0.218  1.0
  O  O50  1  0.015  0.195  0.447  1.0
  O  O51  1  0.434  0.905  0.718  1.0
[/CIF]
.