The material described by K2NHS2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. N(1) is bonded in a distorted trigonal non-coplanar geometry to one H(1), one S(2), and one O(1) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one N(1), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one S(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the sixth O site, O(1) is bonded in a distorted water-like geometry to one K(2), one N(1), and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. is represented by the CIF card [CIF]
data_K2HS2NO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.240
_cell_length_b   7.600
_cell_length_c   11.139
_cell_angle_alpha   70.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.296
_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
  K  K0  1  0.406  0.347  0.188  1.0
  K  K1  1  0.906  0.653  0.312  1.0
  K  K2  1  0.594  0.653  0.812  1.0
  K  K3  1  0.094  0.347  0.688  1.0
  K  K4  1  0.247  0.955  0.016  1.0
  K  K5  1  0.747  0.045  0.484  1.0
  K  K6  1  0.753  0.045  0.984  1.0
  K  K7  1  0.253  0.955  0.516  1.0
  H  H8  1  0.552  0.640  0.420  1.0
  H  H9  1  0.052  0.360  0.080  1.0
  H  H10  1  0.448  0.360  0.580  1.0
  H  H11  1  0.948  0.640  0.920  1.0
  S  S12  1  0.254  0.556  0.375  1.0
  S  S13  1  0.754  0.444  0.125  1.0
  S  S14  1  0.746  0.444  0.625  1.0
  S  S15  1  0.246  0.556  0.875  1.0
  S  S16  1  0.543  0.912  0.265  1.0
  S  S17  1  0.043  0.088  0.235  1.0
  S  S18  1  0.457  0.088  0.735  1.0
  S  S19  1  0.957  0.912  0.765  1.0
  N  N20  1  0.489  0.686  0.343  1.0
  N  N21  1  0.989  0.314  0.157  1.0
  N  N22  1  0.511  0.314  0.657  1.0
  N  N23  1  0.011  0.686  0.843  1.0
  O  O24  1  0.364  0.700  0.403  1.0
  O  O25  1  0.864  0.300  0.097  1.0
  O  O26  1  0.636  0.300  0.597  1.0
  O  O27  1  0.136  0.700  0.903  1.0
  O  O28  1  0.307  0.368  0.433  1.0
  O  O29  1  0.807  0.632  0.067  1.0
  O  O30  1  0.693  0.632  0.567  1.0
  O  O31  1  0.193  0.368  0.933  1.0
  O  O32  1  0.237  0.610  0.238  1.0
  O  O33  1  0.737  0.390  0.262  1.0
  O  O34  1  0.763  0.390  0.762  1.0
  O  O35  1  0.263  0.610  0.738  1.0
  O  O36  1  0.144  0.599  0.445  1.0
  O  O37  1  0.644  0.401  0.055  1.0
  O  O38  1  0.856  0.401  0.555  1.0
  O  O39  1  0.356  0.599  0.945  1.0
  O  O40  1  0.518  0.020  0.351  1.0
  O  O41  1  0.018  0.980  0.149  1.0
  O  O42  1  0.482  0.980  0.649  1.0
  O  O43  1  0.982  0.020  0.851  1.0
  O  O44  1  0.470  0.981  0.146  1.0
  O  O45  1  0.970  0.019  0.354  1.0
  O  O46  1  0.530  0.019  0.854  1.0
  O  O47  1  0.030  0.981  0.646  1.0
  O  O48  1  0.681  0.877  0.249  1.0
  O  O49  1  0.181  0.123  0.251  1.0
  O  O50  1  0.319  0.123  0.751  1.0
  O  O51  1  0.819  0.877  0.749  1.0
[/CIF]
.
The material described by K2NHS2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. N(1) is bonded in a distorted trigonal non-coplanar geometry to one H(1), one S(2), and one O(1) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one N(1), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one S(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the sixth O site, O(1) is bonded in a distorted water-like geometry to one K(2), one N(1), and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. is represented by the CIF card [CIF]
data_K2HS2NO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.240
_cell_length_b   7.600
_cell_length_c   11.139
_cell_angle_alpha   70.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   818.296
_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
  K  K0  1  0.406  0.347  0.188  1.0
  K  K1  1  0.906  0.653  0.312  1.0
  K  K2  1  0.594  0.653  0.812  1.0
  K  K3  1  0.094  0.347  0.688  1.0
  K  K4  1  0.247  0.955  0.016  1.0
  K  K5  1  0.747  0.045  0.484  1.0
  K  K6  1  0.753  0.045  0.984  1.0
  K  K7  1  0.253  0.955  0.516  1.0
  H  H8  1  0.552  0.640  0.420  1.0
  H  H9  1  0.052  0.360  0.080  1.0
  H  H10  1  0.448  0.360  0.580  1.0
  H  H11  1  0.948  0.640  0.920  1.0
  S  S12  1  0.254  0.556  0.375  1.0
  S  S13  1  0.754  0.444  0.125  1.0
  S  S14  1  0.746  0.444  0.625  1.0
  S  S15  1  0.246  0.556  0.875  1.0
  S  S16  1  0.543  0.912  0.265  1.0
  S  S17  1  0.043  0.088  0.235  1.0
  S  S18  1  0.457  0.088  0.735  1.0
  S  S19  1  0.957  0.912  0.765  1.0
  N  N20  1  0.489  0.686  0.343  1.0
  N  N21  1  0.989  0.314  0.157  1.0
  N  N22  1  0.511  0.314  0.657  1.0
  N  N23  1  0.011  0.686  0.843  1.0
  O  O24  1  0.364  0.700  0.403  1.0
  O  O25  1  0.864  0.300  0.097  1.0
  O  O26  1  0.636  0.300  0.597  1.0
  O  O27  1  0.136  0.700  0.903  1.0
  O  O28  1  0.307  0.368  0.433  1.0
  O  O29  1  0.807  0.632  0.067  1.0
  O  O30  1  0.693  0.632  0.567  1.0
  O  O31  1  0.193  0.368  0.933  1.0
  O  O32  1  0.237  0.610  0.238  1.0
  O  O33  1  0.737  0.390  0.262  1.0
  O  O34  1  0.763  0.390  0.762  1.0
  O  O35  1  0.263  0.610  0.738  1.0
  O  O36  1  0.144  0.599  0.445  1.0
  O  O37  1  0.644  0.401  0.055  1.0
  O  O38  1  0.856  0.401  0.555  1.0
  O  O39  1  0.356  0.599  0.945  1.0
  O  O40  1  0.518  0.020  0.351  1.0
  O  O41  1  0.018  0.980  0.149  1.0
  O  O42  1  0.482  0.980  0.649  1.0
  O  O43  1  0.982  0.020  0.851  1.0
  O  O44  1  0.470  0.981  0.146  1.0
  O  O45  1  0.970  0.019  0.354  1.0
  O  O46  1  0.530  0.019  0.854  1.0
  O  O47  1  0.030  0.981  0.646  1.0
  O  O48  1  0.681  0.877  0.249  1.0
  O  O49  1  0.181  0.123  0.251  1.0
  O  O50  1  0.319  0.123  0.751  1.0
  O  O51  1  0.819  0.877  0.749  1.0
[/CIF]
.