The compound described by K3NH2S2O7 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one N(1), one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one N(1), one H(1), one O(1), one O(2), one O(5), two equivalent O(4), and two equivalent O(6) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(7) atoms. N(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one S(1), and one S(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one K(2) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one N(1), one O(1), one O(2), and one O(3) atom to form corner-sharing SNO3 tetrahedra. In the second S site, S(2) is bonded to one N(1), one O(4), one O(5), and one O(6) atom to form corner-sharing SNO3 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one K(2), two equivalent K(3), and one S(2) atom. In the sixth 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 seventh O site, O(7) is bonded in a water-like geometry to two equivalent K(3), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3H2S2NO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.819
_cell_length_b   8.054
_cell_length_c   8.220
_cell_angle_alpha   97.638
_cell_angle_beta   90.892
_cell_angle_gamma   103.249
_symmetry_Int_Tables_number   1
_cell_volume   435.014
_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  0.313  0.945  0.241  1.0
  K  K1  1  0.687  0.055  0.759  1.0
  K  K2  1  0.801  0.656  0.936  1.0
  K  K3  1  0.199  0.344  0.064  1.0
  K  K4  1  0.332  0.326  0.577  1.0
  K  K5  1  0.668  0.674  0.423  1.0
  H  H6  1  0.100  0.545  0.340  1.0
  H  H7  1  0.900  0.455  0.660  1.0
  H  H8  1  0.219  0.683  0.481  1.0
  H  H9  1  0.781  0.317  0.519  1.0
  S  S10  1  0.151  0.938  0.723  1.0
  S  S11  1  0.849  0.062  0.277  1.0
  S  S12  1  0.319  0.693  0.854  1.0
  S  S13  1  0.681  0.307  0.146  1.0
  N  N14  1  0.249  0.873  0.877  1.0
  N  N15  1  0.751  0.127  0.123  1.0
  O  O16  1  0.959  0.814  0.662  1.0
  O  O17  1  0.041  0.186  0.338  1.0
  O  O18  1  0.114  0.107  0.791  1.0
  O  O19  1  0.886  0.893  0.209  1.0
  O  O20  1  0.295  0.958  0.589  1.0
  O  O21  1  0.705  0.042  0.411  1.0
  O  O22  1  0.145  0.542  0.802  1.0
  O  O23  1  0.855  0.458  0.198  1.0
  O  O24  1  0.479  0.694  0.732  1.0
  O  O25  1  0.521  0.306  0.268  1.0
  O  O26  1  0.400  0.682  0.020  1.0
  O  O27  1  0.600  0.318  0.980  1.0
  O  O28  1  0.236  0.598  0.389  1.0
  O  O29  1  0.764  0.402  0.611  1.0
[/CIF]
.
The compound described by K3NH2S2O7 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one N(1), one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one N(1), one H(1), one O(1), one O(2), one O(5), two equivalent O(4), and two equivalent O(6) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(7) atoms. N(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one S(1), and one S(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one K(2) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one N(1), one O(1), one O(2), and one O(3) atom to form corner-sharing SNO3 tetrahedra. In the second S site, S(2) is bonded to one N(1), one O(4), one O(5), and one O(6) atom to form corner-sharing SNO3 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one K(2), two equivalent K(3), and one S(2) atom. In the sixth 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 seventh O site, O(7) is bonded in a water-like geometry to two equivalent K(3), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3H2S2NO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.819
_cell_length_b   8.054
_cell_length_c   8.220
_cell_angle_alpha   97.638
_cell_angle_beta   90.892
_cell_angle_gamma   103.249
_symmetry_Int_Tables_number   1
_cell_volume   435.014
_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  0.313  0.945  0.241  1.0
  K  K1  1  0.687  0.055  0.759  1.0
  K  K2  1  0.801  0.656  0.936  1.0
  K  K3  1  0.199  0.344  0.064  1.0
  K  K4  1  0.332  0.326  0.577  1.0
  K  K5  1  0.668  0.674  0.423  1.0
  H  H6  1  0.100  0.545  0.340  1.0
  H  H7  1  0.900  0.455  0.660  1.0
  H  H8  1  0.219  0.683  0.481  1.0
  H  H9  1  0.781  0.317  0.519  1.0
  S  S10  1  0.151  0.938  0.723  1.0
  S  S11  1  0.849  0.062  0.277  1.0
  S  S12  1  0.319  0.693  0.854  1.0
  S  S13  1  0.681  0.307  0.146  1.0
  N  N14  1  0.249  0.873  0.877  1.0
  N  N15  1  0.751  0.127  0.123  1.0
  O  O16  1  0.959  0.814  0.662  1.0
  O  O17  1  0.041  0.186  0.338  1.0
  O  O18  1  0.114  0.107  0.791  1.0
  O  O19  1  0.886  0.893  0.209  1.0
  O  O20  1  0.295  0.958  0.589  1.0
  O  O21  1  0.705  0.042  0.411  1.0
  O  O22  1  0.145  0.542  0.802  1.0
  O  O23  1  0.855  0.458  0.198  1.0
  O  O24  1  0.479  0.694  0.732  1.0
  O  O25  1  0.521  0.306  0.268  1.0
  O  O26  1  0.400  0.682  0.020  1.0
  O  O27  1  0.600  0.318  0.980  1.0
  O  O28  1  0.236  0.598  0.389  1.0
  O  O29  1  0.764  0.402  0.611  1.0
[/CIF]
.