The compound described by Cs3P3HO9 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent H(1), one O(3), one O(6), one O(7), one O(8), one O(9), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(7), two equivalent O(5), and two equivalent O(8) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one H(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(3), one O(4), and one O(9) atom to form corner-sharing PO4 tetrahedra. H(1) is bonded in a 3-coordinate geometry to one Cs(3) and two equivalent Cs(1) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one P(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one P(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3P3HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.048
_cell_length_b   8.317
_cell_length_c   10.722
_cell_angle_alpha   68.603
_cell_angle_beta   85.459
_cell_angle_gamma   84.945
_symmetry_Int_Tables_number   1
_cell_volume   664.721
_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  0.630  0.293  0.369  1.0
  Cs  Cs1  1  0.370  0.707  0.631  1.0
  Cs  Cs2  1  0.760  0.241  0.981  1.0
  Cs  Cs3  1  0.240  0.759  0.019  1.0
  Cs  Cs4  1  0.111  0.212  0.666  1.0
  Cs  Cs5  1  0.889  0.788  0.334  1.0
  P  P6  1  0.743  0.728  0.002  1.0
  P  P7  1  0.257  0.272  0.998  1.0
  P  P8  1  0.079  0.269  0.252  1.0
  P  P9  1  0.921  0.731  0.748  1.0
  P  P10  1  0.358  0.011  0.260  1.0
  P  P11  1  0.642  0.989  0.740  1.0
  H  H12  1  0.292  0.521  0.411  1.0
  H  H13  1  0.708  0.479  0.589  1.0
  O  O14  1  0.388  0.136  0.103  1.0
  O  O15  1  0.612  0.864  0.897  1.0
  O  O16  1  0.152  0.360  0.097  1.0
  O  O17  1  0.848  0.640  0.903  1.0
  O  O18  1  0.260  0.860  0.272  1.0
  O  O19  1  0.740  0.140  0.728  1.0
  O  O20  1  0.477  0.019  0.677  1.0
  O  O21  1  0.523  0.981  0.323  1.0
  O  O22  1  0.145  0.172  0.952  1.0
  O  O23  1  0.855  0.828  0.048  1.0
  O  O24  1  0.052  0.404  0.315  1.0
  O  O25  1  0.948  0.596  0.685  1.0
  O  O26  1  0.937  0.161  0.255  1.0
  O  O27  1  0.063  0.839  0.745  1.0
  O  O28  1  0.641  0.590  0.101  1.0
  O  O29  1  0.359  0.410  0.899  1.0
  O  O30  1  0.244  0.145  0.319  1.0
  O  O31  1  0.756  0.855  0.681  1.0
[/CIF]
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The compound described by Cs3P3HO9 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent H(1), one O(3), one O(6), one O(7), one O(8), one O(9), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(7), two equivalent O(5), and two equivalent O(8) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one H(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(3), one O(4), and one O(9) atom to form corner-sharing PO4 tetrahedra. H(1) is bonded in a 3-coordinate geometry to one Cs(3) and two equivalent Cs(1) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one P(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one P(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3P3HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.048
_cell_length_b   8.317
_cell_length_c   10.722
_cell_angle_alpha   68.603
_cell_angle_beta   85.459
_cell_angle_gamma   84.945
_symmetry_Int_Tables_number   1
_cell_volume   664.721
_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  0.630  0.293  0.369  1.0
  Cs  Cs1  1  0.370  0.707  0.631  1.0
  Cs  Cs2  1  0.760  0.241  0.981  1.0
  Cs  Cs3  1  0.240  0.759  0.019  1.0
  Cs  Cs4  1  0.111  0.212  0.666  1.0
  Cs  Cs5  1  0.889  0.788  0.334  1.0
  P  P6  1  0.743  0.728  0.002  1.0
  P  P7  1  0.257  0.272  0.998  1.0
  P  P8  1  0.079  0.269  0.252  1.0
  P  P9  1  0.921  0.731  0.748  1.0
  P  P10  1  0.358  0.011  0.260  1.0
  P  P11  1  0.642  0.989  0.740  1.0
  H  H12  1  0.292  0.521  0.411  1.0
  H  H13  1  0.708  0.479  0.589  1.0
  O  O14  1  0.388  0.136  0.103  1.0
  O  O15  1  0.612  0.864  0.897  1.0
  O  O16  1  0.152  0.360  0.097  1.0
  O  O17  1  0.848  0.640  0.903  1.0
  O  O18  1  0.260  0.860  0.272  1.0
  O  O19  1  0.740  0.140  0.728  1.0
  O  O20  1  0.477  0.019  0.677  1.0
  O  O21  1  0.523  0.981  0.323  1.0
  O  O22  1  0.145  0.172  0.952  1.0
  O  O23  1  0.855  0.828  0.048  1.0
  O  O24  1  0.052  0.404  0.315  1.0
  O  O25  1  0.948  0.596  0.685  1.0
  O  O26  1  0.937  0.161  0.255  1.0
  O  O27  1  0.063  0.839  0.745  1.0
  O  O28  1  0.641  0.590  0.101  1.0
  O  O29  1  0.359  0.410  0.899  1.0
  O  O30  1  0.244  0.145  0.319  1.0
  O  O31  1  0.756  0.855  0.681  1.0
[/CIF]
.