The structure described by CsCuP3H8O13 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(3), one O(4), one O(9), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(13) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(10) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(11) and one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(12) and one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one P(2), one H(3), and one H(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one H(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one P(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Cs(1), one Cu(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Cu(1), one H(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cs(1), one Cu(2), one H(5), and one H(6) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Cs(1), one Cu(1), one H(7), and one H(8) atom. is represented by the CIF file [CIF]
data_CsCuP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.619
_cell_length_b   8.687
_cell_length_c   9.891
_cell_angle_alpha   102.423
_cell_angle_beta   90.875
_cell_angle_gamma   105.992
_symmetry_Int_Tables_number   1
_cell_volume   612.653
_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  0.720  0.414  0.322  1.0
  Cs  Cs1  1  0.280  0.586  0.678  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  P  P4  1  0.196  0.349  0.244  1.0
  P  P5  1  0.804  0.651  0.756  1.0
  P  P6  1  0.992  0.001  0.781  1.0
  P  P7  1  0.008  0.999  0.219  1.0
  P  P8  1  0.278  0.272  0.948  1.0
  P  P9  1  0.722  0.728  0.052  1.0
  H  H10  1  0.347  0.233  0.472  1.0
  H  H11  1  0.653  0.767  0.528  1.0
  H  H12  1  0.246  0.122  0.577  1.0
  H  H13  1  0.754  0.878  0.423  1.0
  H  H14  1  0.613  0.997  0.742  1.0
  H  H15  1  0.387  0.003  0.258  1.0
  H  H16  1  0.471  0.101  0.755  1.0
  H  H17  1  0.529  0.899  0.245  1.0
  H  H18  1  0.675  0.307  0.960  1.0
  H  H19  1  0.325  0.693  0.040  1.0
  H  H20  1  0.808  0.196  0.939  1.0
  H  H21  1  0.192  0.804  0.061  1.0
  H  H22  1  0.185  0.690  0.362  1.0
  H  H23  1  0.815  0.310  0.638  1.0
  H  H24  1  0.898  0.177  0.550  1.0
  H  H25  1  0.102  0.823  0.450  1.0
  O  O26  1  0.123  0.489  0.230  1.0
  O  O27  1  0.877  0.511  0.770  1.0
  O  O28  1  0.311  0.362  0.373  1.0
  O  O29  1  0.689  0.638  0.627  1.0
  O  O30  1  0.018  0.188  0.219  1.0
  O  O31  1  0.982  0.812  0.781  1.0
  O  O32  1  0.318  0.306  0.114  1.0
  O  O33  1  0.682  0.694  0.886  1.0
  O  O34  1  0.187  0.968  0.178  1.0
  O  O35  1  0.813  0.032  0.822  1.0
  O  O36  1  0.935  0.958  0.350  1.0
  O  O37  1  0.065  0.042  0.650  1.0
  O  O38  1  0.855  0.914  0.088  1.0
  O  O39  1  0.145  0.086  0.912  1.0
  O  O40  1  0.543  0.723  0.115  1.0
  O  O41  1  0.457  0.277  0.885  1.0
  O  O42  1  0.170  0.381  0.909  1.0
  O  O43  1  0.830  0.619  0.091  1.0
  O  O44  1  0.632  0.829  0.458  1.0
  O  O45  1  0.368  0.171  0.542  1.0
  O  O46  1  0.490  0.996  0.701  1.0
  O  O47  1  0.510  0.004  0.299  1.0
  O  O48  1  0.793  0.300  0.999  1.0
  O  O49  1  0.207  0.700  0.001  1.0
  O  O50  1  0.801  0.232  0.547  1.0
  O  O51  1  0.199  0.768  0.453  1.0
[/CIF]
.
The structure described by CsCuP3H8O13 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(3), one O(4), one O(9), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(13) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(10) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(11) and one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(12) and one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one P(2), one H(3), and one H(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one H(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one P(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Cs(1), one Cu(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Cu(1), one H(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cs(1), one Cu(2), one H(5), and one H(6) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Cs(1), one Cu(1), one H(7), and one H(8) atom. is represented by the CIF file [CIF]
data_CsCuP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.619
_cell_length_b   8.687
_cell_length_c   9.891
_cell_angle_alpha   102.423
_cell_angle_beta   90.875
_cell_angle_gamma   105.992
_symmetry_Int_Tables_number   1
_cell_volume   612.653
_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  0.720  0.414  0.322  1.0
  Cs  Cs1  1  0.280  0.586  0.678  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  P  P4  1  0.196  0.349  0.244  1.0
  P  P5  1  0.804  0.651  0.756  1.0
  P  P6  1  0.992  0.001  0.781  1.0
  P  P7  1  0.008  0.999  0.219  1.0
  P  P8  1  0.278  0.272  0.948  1.0
  P  P9  1  0.722  0.728  0.052  1.0
  H  H10  1  0.347  0.233  0.472  1.0
  H  H11  1  0.653  0.767  0.528  1.0
  H  H12  1  0.246  0.122  0.577  1.0
  H  H13  1  0.754  0.878  0.423  1.0
  H  H14  1  0.613  0.997  0.742  1.0
  H  H15  1  0.387  0.003  0.258  1.0
  H  H16  1  0.471  0.101  0.755  1.0
  H  H17  1  0.529  0.899  0.245  1.0
  H  H18  1  0.675  0.307  0.960  1.0
  H  H19  1  0.325  0.693  0.040  1.0
  H  H20  1  0.808  0.196  0.939  1.0
  H  H21  1  0.192  0.804  0.061  1.0
  H  H22  1  0.185  0.690  0.362  1.0
  H  H23  1  0.815  0.310  0.638  1.0
  H  H24  1  0.898  0.177  0.550  1.0
  H  H25  1  0.102  0.823  0.450  1.0
  O  O26  1  0.123  0.489  0.230  1.0
  O  O27  1  0.877  0.511  0.770  1.0
  O  O28  1  0.311  0.362  0.373  1.0
  O  O29  1  0.689  0.638  0.627  1.0
  O  O30  1  0.018  0.188  0.219  1.0
  O  O31  1  0.982  0.812  0.781  1.0
  O  O32  1  0.318  0.306  0.114  1.0
  O  O33  1  0.682  0.694  0.886  1.0
  O  O34  1  0.187  0.968  0.178  1.0
  O  O35  1  0.813  0.032  0.822  1.0
  O  O36  1  0.935  0.958  0.350  1.0
  O  O37  1  0.065  0.042  0.650  1.0
  O  O38  1  0.855  0.914  0.088  1.0
  O  O39  1  0.145  0.086  0.912  1.0
  O  O40  1  0.543  0.723  0.115  1.0
  O  O41  1  0.457  0.277  0.885  1.0
  O  O42  1  0.170  0.381  0.909  1.0
  O  O43  1  0.830  0.619  0.091  1.0
  O  O44  1  0.632  0.829  0.458  1.0
  O  O45  1  0.368  0.171  0.542  1.0
  O  O46  1  0.490  0.996  0.701  1.0
  O  O47  1  0.510  0.004  0.299  1.0
  O  O48  1  0.793  0.300  0.999  1.0
  O  O49  1  0.207  0.700  0.001  1.0
  O  O50  1  0.801  0.232  0.547  1.0
  O  O51  1  0.199  0.768  0.453  1.0
[/CIF]
.