The crystal structure described by K5H3S5O14 crystallizes in the monoclinic C2/m space group. There are six inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(3) and four equivalent O(8) atoms to form KO6 octahedra that share corners with four equivalent S(5)HO3 tetrahedra and edges with two equivalent K(6)O7 pentagonal bipyramids. In the second K site, K(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(6) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms. In the fifth K site, K(5) is bonded to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one S(5)HO3 tetrahedra, corners with two equivalent S(3)HO3 tetrahedra,  an edgeedge with one K(6)O7 pentagonal bipyramid, and  an edgeedge with one S(4)HO3 tetrahedra. In the sixth K site, K(6) is bonded to one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form distorted KO7 pentagonal bipyramids that share corners with two equivalent S(5)HO3 tetrahedra, corners with three equivalent S(3)HO3 tetrahedra,  an edgeedge with one K(1)O6 octahedra, and  an edgeedge with one K(5)O7 pentagonal bipyramid. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one S(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one S(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent O(1) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(2) atoms. In the third S site, S(3) is bonded to one H(1), one O(5), and two equivalent O(4) atoms to form SHO3 tetrahedra that share corners with two equivalent K(5)O7 pentagonal bipyramids and corners with three equivalent K(6)O7 pentagonal bipyramids. In the fourth S site, S(4) is bonded to one H(2), one O(7), and two equivalent O(6) atoms to form SHO3 tetrahedra that share  an edgeedge with one K(5)O7 pentagonal bipyramid. In the fifth S site, S(5) is bonded to one H(3), one O(9), and two equivalent O(8) atoms to form SHO3 tetrahedra that share corners with two equivalent K(1)O6 octahedra,  a cornercorner with one K(5)O7 pentagonal bipyramid, and corners with two equivalent K(6)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(3), one K(4), one K(6), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), one K(4), one K(5), and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(4), and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(3), one K(5), one K(6), and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(6) and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(2), one K(3), one K(5), and one S(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent K(3) and one S(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(4), one K(6), and one S(5) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(4), one K(5), and one S(5) atom. is represented by the CIF card [CIF]
data_K5H3S5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.781
_cell_length_b   10.781
_cell_length_c   15.011
_cell_angle_alpha   76.089
_cell_angle_beta   76.089
_cell_angle_gamma   32.226
_symmetry_Int_Tables_number   1
_cell_volume   900.796
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  K  K2  1  0.722  0.722  0.886  1.0
  K  K3  1  0.278  0.278  0.114  1.0
  K  K4  1  0.924  0.924  0.697  1.0
  K  K5  1  0.076  0.076  0.303  1.0
  K  K6  1  0.085  0.085  0.784  1.0
  K  K7  1  0.915  0.915  0.216  1.0
  K  K8  1  0.293  0.293  0.629  1.0
  K  K9  1  0.707  0.707  0.371  1.0
  H  H10  1  0.614  0.614  0.643  1.0
  H  H11  1  0.386  0.386  0.357  1.0
  H  H12  1  0.094  0.094  0.074  1.0
  H  H13  1  0.906  0.906  0.926  1.0
  H  H14  1  0.169  0.169  0.535  1.0
  H  H15  1  0.831  0.831  0.465  1.0
  S  S16  1  0.341  0.341  0.843  1.0
  S  S17  1  0.659  0.659  0.157  1.0
  S  S18  1  0.455  0.455  0.788  1.0
  S  S19  1  0.545  0.545  0.212  1.0
  S  S20  1  0.678  0.678  0.651  1.0
  S  S21  1  0.322  0.322  0.349  1.0
  S  S22  1  0.130  0.130  0.985  1.0
  S  S23  1  0.870  0.870  0.015  1.0
  S  S24  1  0.107  0.107  0.517  1.0
  S  S25  1  0.893  0.893  0.483  1.0
  O  O26  1  0.118  0.533  0.795  1.0
  O  O27  1  0.533  0.118  0.795  1.0
  O  O28  1  0.882  0.467  0.205  1.0
  O  O29  1  0.467  0.882  0.205  1.0
  O  O30  1  0.273  0.686  0.823  1.0
  O  O31  1  0.686  0.273  0.823  1.0
  O  O32  1  0.727  0.314  0.177  1.0
  O  O33  1  0.314  0.727  0.177  1.0
  O  O34  1  0.466  0.466  0.686  1.0
  O  O35  1  0.534  0.534  0.314  1.0
  O  O36  1  0.889  0.478  0.703  1.0
  O  O37  1  0.478  0.889  0.703  1.0
  O  O38  1  0.111  0.522  0.297  1.0
  O  O39  1  0.522  0.111  0.297  1.0
  O  O40  1  0.721  0.721  0.558  1.0
  O  O41  1  0.279  0.279  0.442  1.0
  O  O42  1  0.904  0.314  0.945  1.0
  O  O43  1  0.314  0.904  0.945  1.0
  O  O44  1  0.096  0.686  0.055  1.0
  O  O45  1  0.686  0.096  0.055  1.0
  O  O46  1  0.201  0.201  0.984  1.0
  O  O47  1  0.799  0.799  0.016  1.0
  O  O48  1  0.901  0.309  0.463  1.0
  O  O49  1  0.309  0.901  0.463  1.0
  O  O50  1  0.099  0.691  0.537  1.0
  O  O51  1  0.691  0.099  0.537  1.0
  O  O52  1  0.059  0.059  0.607  1.0
  O  O53  1  0.941  0.941  0.393  1.0
[/CIF]
.
The crystal structure described by K5H3S5O14 crystallizes in the monoclinic C2/m space group. There are six inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(3) and four equivalent O(8) atoms to form KO6 octahedra that share corners with four equivalent S(5)HO3 tetrahedra and edges with two equivalent K(6)O7 pentagonal bipyramids. In the second K site, K(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(6) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms. In the fifth K site, K(5) is bonded to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one S(5)HO3 tetrahedra, corners with two equivalent S(3)HO3 tetrahedra,  an edgeedge with one K(6)O7 pentagonal bipyramid, and  an edgeedge with one S(4)HO3 tetrahedra. In the sixth K site, K(6) is bonded to one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form distorted KO7 pentagonal bipyramids that share corners with two equivalent S(5)HO3 tetrahedra, corners with three equivalent S(3)HO3 tetrahedra,  an edgeedge with one K(1)O6 octahedra, and  an edgeedge with one K(5)O7 pentagonal bipyramid. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one S(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one S(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent O(1) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(2) atoms. In the third S site, S(3) is bonded to one H(1), one O(5), and two equivalent O(4) atoms to form SHO3 tetrahedra that share corners with two equivalent K(5)O7 pentagonal bipyramids and corners with three equivalent K(6)O7 pentagonal bipyramids. In the fourth S site, S(4) is bonded to one H(2), one O(7), and two equivalent O(6) atoms to form SHO3 tetrahedra that share  an edgeedge with one K(5)O7 pentagonal bipyramid. In the fifth S site, S(5) is bonded to one H(3), one O(9), and two equivalent O(8) atoms to form SHO3 tetrahedra that share corners with two equivalent K(1)O6 octahedra,  a cornercorner with one K(5)O7 pentagonal bipyramid, and corners with two equivalent K(6)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(3), one K(4), one K(6), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), one K(4), one K(5), and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(4), and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(3), one K(5), one K(6), and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(6) and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(2), one K(3), one K(5), and one S(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent K(3) and one S(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(4), one K(6), and one S(5) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(4), one K(5), and one S(5) atom. is represented by the CIF card [CIF]
data_K5H3S5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.781
_cell_length_b   10.781
_cell_length_c   15.011
_cell_angle_alpha   76.089
_cell_angle_beta   76.089
_cell_angle_gamma   32.226
_symmetry_Int_Tables_number   1
_cell_volume   900.796
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  K  K2  1  0.722  0.722  0.886  1.0
  K  K3  1  0.278  0.278  0.114  1.0
  K  K4  1  0.924  0.924  0.697  1.0
  K  K5  1  0.076  0.076  0.303  1.0
  K  K6  1  0.085  0.085  0.784  1.0
  K  K7  1  0.915  0.915  0.216  1.0
  K  K8  1  0.293  0.293  0.629  1.0
  K  K9  1  0.707  0.707  0.371  1.0
  H  H10  1  0.614  0.614  0.643  1.0
  H  H11  1  0.386  0.386  0.357  1.0
  H  H12  1  0.094  0.094  0.074  1.0
  H  H13  1  0.906  0.906  0.926  1.0
  H  H14  1  0.169  0.169  0.535  1.0
  H  H15  1  0.831  0.831  0.465  1.0
  S  S16  1  0.341  0.341  0.843  1.0
  S  S17  1  0.659  0.659  0.157  1.0
  S  S18  1  0.455  0.455  0.788  1.0
  S  S19  1  0.545  0.545  0.212  1.0
  S  S20  1  0.678  0.678  0.651  1.0
  S  S21  1  0.322  0.322  0.349  1.0
  S  S22  1  0.130  0.130  0.985  1.0
  S  S23  1  0.870  0.870  0.015  1.0
  S  S24  1  0.107  0.107  0.517  1.0
  S  S25  1  0.893  0.893  0.483  1.0
  O  O26  1  0.118  0.533  0.795  1.0
  O  O27  1  0.533  0.118  0.795  1.0
  O  O28  1  0.882  0.467  0.205  1.0
  O  O29  1  0.467  0.882  0.205  1.0
  O  O30  1  0.273  0.686  0.823  1.0
  O  O31  1  0.686  0.273  0.823  1.0
  O  O32  1  0.727  0.314  0.177  1.0
  O  O33  1  0.314  0.727  0.177  1.0
  O  O34  1  0.466  0.466  0.686  1.0
  O  O35  1  0.534  0.534  0.314  1.0
  O  O36  1  0.889  0.478  0.703  1.0
  O  O37  1  0.478  0.889  0.703  1.0
  O  O38  1  0.111  0.522  0.297  1.0
  O  O39  1  0.522  0.111  0.297  1.0
  O  O40  1  0.721  0.721  0.558  1.0
  O  O41  1  0.279  0.279  0.442  1.0
  O  O42  1  0.904  0.314  0.945  1.0
  O  O43  1  0.314  0.904  0.945  1.0
  O  O44  1  0.096  0.686  0.055  1.0
  O  O45  1  0.686  0.096  0.055  1.0
  O  O46  1  0.201  0.201  0.984  1.0
  O  O47  1  0.799  0.799  0.016  1.0
  O  O48  1  0.901  0.309  0.463  1.0
  O  O49  1  0.309  0.901  0.463  1.0
  O  O50  1  0.099  0.691  0.537  1.0
  O  O51  1  0.691  0.099  0.537  1.0
  O  O52  1  0.059  0.059  0.607  1.0
  O  O53  1  0.941  0.941  0.393  1.0
[/CIF]
.