The crystal structure described by CsPO3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(1), and three equivalent O(3) atoms. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1) and two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsPO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.305
_cell_length_b   6.813
_cell_length_c   13.805
_cell_angle_alpha   66.401
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.029
_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  0.632  0.315  0.410  1.0
  Cs  Cs1  1  0.368  0.685  0.590  1.0
  Cs  Cs2  1  0.132  0.685  0.090  1.0
  Cs  Cs3  1  0.868  0.315  0.910  1.0
  P  P4  1  0.992  0.868  0.318  1.0
  P  P5  1  0.008  0.132  0.682  1.0
  P  P6  1  0.492  0.132  0.182  1.0
  P  P7  1  0.508  0.868  0.818  1.0
  O  O8  1  0.636  0.332  0.180  1.0
  O  O9  1  0.364  0.668  0.820  1.0
  O  O10  1  0.136  0.668  0.320  1.0
  O  O11  1  0.864  0.332  0.680  1.0
  O  O12  1  0.743  0.939  0.222  1.0
  O  O13  1  0.257  0.061  0.778  1.0
  O  O14  1  0.243  0.061  0.278  1.0
  O  O15  1  0.757  0.939  0.722  1.0
  O  O16  1  0.849  0.873  0.414  1.0
  O  O17  1  0.151  0.127  0.586  1.0
  O  O18  1  0.349  0.127  0.086  1.0
  O  O19  1  0.651  0.873  0.914  1.0
[/CIF]
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The crystal structure described by CsPO3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(1), and three equivalent O(3) atoms. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1) and two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsPO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.305
_cell_length_b   6.813
_cell_length_c   13.805
_cell_angle_alpha   66.401
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.029
_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  0.632  0.315  0.410  1.0
  Cs  Cs1  1  0.368  0.685  0.590  1.0
  Cs  Cs2  1  0.132  0.685  0.090  1.0
  Cs  Cs3  1  0.868  0.315  0.910  1.0
  P  P4  1  0.992  0.868  0.318  1.0
  P  P5  1  0.008  0.132  0.682  1.0
  P  P6  1  0.492  0.132  0.182  1.0
  P  P7  1  0.508  0.868  0.818  1.0
  O  O8  1  0.636  0.332  0.180  1.0
  O  O9  1  0.364  0.668  0.820  1.0
  O  O10  1  0.136  0.668  0.320  1.0
  O  O11  1  0.864  0.332  0.680  1.0
  O  O12  1  0.743  0.939  0.222  1.0
  O  O13  1  0.257  0.061  0.778  1.0
  O  O14  1  0.243  0.061  0.278  1.0
  O  O15  1  0.757  0.939  0.722  1.0
  O  O16  1  0.849  0.873  0.414  1.0
  O  O17  1  0.151  0.127  0.586  1.0
  O  O18  1  0.349  0.127  0.086  1.0
  O  O19  1  0.651  0.873  0.914  1.0
[/CIF]
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