The compound described by CsPO4 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(2), and six equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CsPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   6.423
_cell_length_c   8.131
_cell_angle_alpha   90.000
_cell_angle_beta   107.670
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.781
_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  0.239  0.250  0.258  1.0
  Cs  Cs1  1  0.761  0.750  0.742  1.0
  P  P2  1  0.724  0.750  0.239  1.0
  P  P3  1  0.276  0.250  0.761  1.0
  O  O4  1  0.983  0.750  0.392  1.0
  O  O5  1  0.017  0.250  0.608  1.0
  O  O6  1  0.492  0.750  0.315  1.0
  O  O7  1  0.508  0.250  0.685  1.0
  O  O8  1  0.726  0.950  0.134  1.0
  O  O9  1  0.274  0.450  0.866  1.0
  O  O10  1  0.274  0.050  0.866  1.0
  O  O11  1  0.726  0.550  0.134  1.0
[/CIF]
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The compound described by CsPO4 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(2), and six equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CsPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   6.423
_cell_length_c   8.131
_cell_angle_alpha   90.000
_cell_angle_beta   107.670
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.781
_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  0.239  0.250  0.258  1.0
  Cs  Cs1  1  0.761  0.750  0.742  1.0
  P  P2  1  0.724  0.750  0.239  1.0
  P  P3  1  0.276  0.250  0.761  1.0
  O  O4  1  0.983  0.750  0.392  1.0
  O  O5  1  0.017  0.250  0.608  1.0
  O  O6  1  0.492  0.750  0.315  1.0
  O  O7  1  0.508  0.250  0.685  1.0
  O  O8  1  0.726  0.950  0.134  1.0
  O  O9  1  0.274  0.450  0.866  1.0
  O  O10  1  0.274  0.050  0.866  1.0
  O  O11  1  0.726  0.550  0.134  1.0
[/CIF]
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