The material described by K2PH3SO8 crystallizes in the triclinic P-1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(14), one O(16), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(13), one O(14), one O(16), one O(2), one O(4), one O(5), and one O(7) atom. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(15), one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(15), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(13), one O(3), and one O(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(11) atom. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(9) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(16) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(15) and one O(2) atom. In the fifth H site, H(5) is bonded in a linear geometry to two equivalent O(5) atoms. In the sixth H site, H(6) is bonded in a linear geometry to two equivalent O(6) atoms. In the seventh H site, H(7) is bonded in a linear geometry to two equivalent O(3) atoms. In the eighth H site, H(8) is bonded in a linear geometry to two equivalent O(4) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(16), one O(2), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(14), and one O(4) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(3), one K(4), one P(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(3), one K(4), one H(4), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one P(2), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one H(8), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one H(6), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(4), and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one H(1), and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(2), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one H(2), and one S(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one K(2), one K(3), one K(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one K(1), one K(3), one K(4), and one S(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one P(1), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one H(3), and one S(1) atom. is represented by the CIF card [CIF]
data_K2PH3SO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.321
_cell_length_b   7.511
_cell_length_c   7.503
_cell_angle_alpha   92.351
_cell_angle_beta   98.902
_cell_angle_gamma   89.504
_symmetry_Int_Tables_number   1
_cell_volume   407.275
_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
  H  H0  1  0.266  0.512  0.388  1.0
  H  H1  1  0.223  0.071  0.111  1.0
  H  H2  1  0.734  0.488  0.612  1.0
  H  H3  1  0.777  0.929  0.889  1.0
  H  H4  1  0.000  0.500  1.000  1.0
  H  H5  1  0.500  0.000  0.500  1.0
  K  K6  1  0.608  0.301  0.210  1.0
  K  K7  1  0.905  0.806  0.298  1.0
  K  K8  1  0.392  0.699  0.790  1.0
  K  K9  1  0.095  0.194  0.702  1.0
  O  O10  1  0.200  0.204  0.095  1.0
  O  O11  1  0.307  0.721  0.399  1.0
  O  O12  1  0.800  0.796  0.905  1.0
  O  O13  1  0.693  0.279  0.601  1.0
  O  O14  1  0.978  0.454  0.147  1.0
  O  O15  1  0.525  0.952  0.349  1.0
  O  O16  1  0.022  0.546  0.853  1.0
  O  O17  1  0.475  0.048  0.651  1.0
  O  O18  1  0.975  0.166  0.323  1.0
  O  O19  1  0.525  0.666  0.183  1.0
  O  O20  1  0.025  0.834  0.677  1.0
  O  O21  1  0.475  0.334  0.817  1.0
  O  O22  1  0.241  0.380  0.397  1.0
  O  O23  1  0.268  0.870  0.111  1.0
  O  O24  1  0.759  0.620  0.603  1.0
  O  O25  1  0.732  0.130  0.889  1.0
  P  P26  1  0.088  0.297  0.241  1.0
  P  P27  1  0.912  0.703  0.759  1.0
  S  S28  1  0.404  0.796  0.259  1.0
  S  S29  1  0.596  0.204  0.741  1.0
[/CIF]
.
The material described by K2PH3SO8 crystallizes in the triclinic P-1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(14), one O(16), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(13), one O(14), one O(16), one O(2), one O(4), one O(5), and one O(7) atom. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(15), one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(15), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(13), one O(3), and one O(9) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(11) atom. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(9) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(16) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(15) and one O(2) atom. In the fifth H site, H(5) is bonded in a linear geometry to two equivalent O(5) atoms. In the sixth H site, H(6) is bonded in a linear geometry to two equivalent O(6) atoms. In the seventh H site, H(7) is bonded in a linear geometry to two equivalent O(3) atoms. In the eighth H site, H(8) is bonded in a linear geometry to two equivalent O(4) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(16), one O(2), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(14), and one O(4) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(3), one K(4), one P(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(3), one K(4), one H(4), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one P(2), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one H(8), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one H(6), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(4), and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one H(1), and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(2), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one H(2), and one S(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one K(2), one K(3), one K(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one K(1), one K(3), one K(4), and one S(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one P(1), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one H(3), and one S(1) atom. is represented by the CIF card [CIF]
data_K2PH3SO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.321
_cell_length_b   7.511
_cell_length_c   7.503
_cell_angle_alpha   92.351
_cell_angle_beta   98.902
_cell_angle_gamma   89.504
_symmetry_Int_Tables_number   1
_cell_volume   407.275
_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
  H  H0  1  0.266  0.512  0.388  1.0
  H  H1  1  0.223  0.071  0.111  1.0
  H  H2  1  0.734  0.488  0.612  1.0
  H  H3  1  0.777  0.929  0.889  1.0
  H  H4  1  0.000  0.500  1.000  1.0
  H  H5  1  0.500  0.000  0.500  1.0
  K  K6  1  0.608  0.301  0.210  1.0
  K  K7  1  0.905  0.806  0.298  1.0
  K  K8  1  0.392  0.699  0.790  1.0
  K  K9  1  0.095  0.194  0.702  1.0
  O  O10  1  0.200  0.204  0.095  1.0
  O  O11  1  0.307  0.721  0.399  1.0
  O  O12  1  0.800  0.796  0.905  1.0
  O  O13  1  0.693  0.279  0.601  1.0
  O  O14  1  0.978  0.454  0.147  1.0
  O  O15  1  0.525  0.952  0.349  1.0
  O  O16  1  0.022  0.546  0.853  1.0
  O  O17  1  0.475  0.048  0.651  1.0
  O  O18  1  0.975  0.166  0.323  1.0
  O  O19  1  0.525  0.666  0.183  1.0
  O  O20  1  0.025  0.834  0.677  1.0
  O  O21  1  0.475  0.334  0.817  1.0
  O  O22  1  0.241  0.380  0.397  1.0
  O  O23  1  0.268  0.870  0.111  1.0
  O  O24  1  0.759  0.620  0.603  1.0
  O  O25  1  0.732  0.130  0.889  1.0
  P  P26  1  0.088  0.297  0.241  1.0
  P  P27  1  0.912  0.703  0.759  1.0
  S  S28  1  0.404  0.796  0.259  1.0
  S  S29  1  0.596  0.204  0.741  1.0
[/CIF]
.