The material described by KCNHS2 crystallizes in the orthorhombic Pbcn space group. K(1) is bonded in a 10-coordinate geometry to one N(1), two equivalent H(1), three equivalent S(2), and four equivalent S(1) atoms. C(1) is bonded in a distorted trigonal planar geometry to one N(1), one S(1), and one S(2) atom. N(1) is bonded in a 3-coordinate geometry to one K(1), one C(1), one N(1), and one H(1) atom. H(1) is bonded in a single-bond geometry to two equivalent K(1) and one N(1) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one C(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one C(1) atom. is represented by the CIF file [CIF]
data_KHCS2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.744
_cell_length_b   10.971
_cell_length_c   13.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   967.821
_cell_formula_units_Z   8
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  0.794  0.555  0.141  1.0
  K  K1  1  0.706  0.055  0.359  1.0
  K  K2  1  0.706  0.445  0.641  1.0
  K  K3  1  0.794  0.945  0.859  1.0
  K  K4  1  0.206  0.445  0.859  1.0
  K  K5  1  0.294  0.945  0.641  1.0
  K  K6  1  0.294  0.555  0.359  1.0
  K  K7  1  0.206  0.055  0.141  1.0
  H  H8  1  0.482  0.626  0.976  1.0
  H  H9  1  0.018  0.126  0.524  1.0
  H  H10  1  0.018  0.374  0.476  1.0
  H  H11  1  0.482  0.874  0.024  1.0
  H  H12  1  0.518  0.374  0.024  1.0
  H  H13  1  0.982  0.874  0.476  1.0
  H  H14  1  0.982  0.626  0.524  1.0
  H  H15  1  0.518  0.126  0.976  1.0
  C  C16  1  0.286  0.654  0.096  1.0
  C  C17  1  0.214  0.154  0.404  1.0
  C  C18  1  0.214  0.346  0.596  1.0
  C  C19  1  0.286  0.846  0.904  1.0
  C  C20  1  0.714  0.346  0.904  1.0
  C  C21  1  0.786  0.846  0.596  1.0
  C  C22  1  0.786  0.654  0.404  1.0
  C  C23  1  0.714  0.154  0.096  1.0
  S  S24  1  0.285  0.498  0.117  1.0
  S  S25  1  0.215  0.998  0.383  1.0
  S  S26  1  0.215  0.502  0.617  1.0
  S  S27  1  0.285  0.002  0.883  1.0
  S  S28  1  0.715  0.502  0.883  1.0
  S  S29  1  0.785  0.002  0.617  1.0
  S  S30  1  0.785  0.498  0.383  1.0
  S  S31  1  0.715  0.998  0.117  1.0
  S  S32  1  0.149  0.753  0.165  1.0
  S  S33  1  0.351  0.253  0.335  1.0
  S  S34  1  0.351  0.247  0.665  1.0
  S  S35  1  0.149  0.747  0.835  1.0
  S  S36  1  0.851  0.247  0.835  1.0
  S  S37  1  0.649  0.747  0.665  1.0
  S  S38  1  0.649  0.753  0.335  1.0
  S  S39  1  0.851  0.253  0.165  1.0
  N  N40  1  0.411  0.691  0.019  1.0
  N  N41  1  0.089  0.191  0.481  1.0
  N  N42  1  0.089  0.309  0.519  1.0
  N  N43  1  0.411  0.809  0.981  1.0
  N  N44  1  0.589  0.309  0.981  1.0
  N  N45  1  0.911  0.809  0.519  1.0
  N  N46  1  0.911  0.691  0.481  1.0
  N  N47  1  0.589  0.191  0.019  1.0
[/CIF]
.
The material described by KCNHS2 crystallizes in the orthorhombic Pbcn space group. K(1) is bonded in a 10-coordinate geometry to one N(1), two equivalent H(1), three equivalent S(2), and four equivalent S(1) atoms. C(1) is bonded in a distorted trigonal planar geometry to one N(1), one S(1), and one S(2) atom. N(1) is bonded in a 3-coordinate geometry to one K(1), one C(1), one N(1), and one H(1) atom. H(1) is bonded in a single-bond geometry to two equivalent K(1) and one N(1) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one C(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one C(1) atom. is represented by the CIF file [CIF]
data_KHCS2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.744
_cell_length_b   10.971
_cell_length_c   13.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   967.821
_cell_formula_units_Z   8
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  0.794  0.555  0.141  1.0
  K  K1  1  0.706  0.055  0.359  1.0
  K  K2  1  0.706  0.445  0.641  1.0
  K  K3  1  0.794  0.945  0.859  1.0
  K  K4  1  0.206  0.445  0.859  1.0
  K  K5  1  0.294  0.945  0.641  1.0
  K  K6  1  0.294  0.555  0.359  1.0
  K  K7  1  0.206  0.055  0.141  1.0
  H  H8  1  0.482  0.626  0.976  1.0
  H  H9  1  0.018  0.126  0.524  1.0
  H  H10  1  0.018  0.374  0.476  1.0
  H  H11  1  0.482  0.874  0.024  1.0
  H  H12  1  0.518  0.374  0.024  1.0
  H  H13  1  0.982  0.874  0.476  1.0
  H  H14  1  0.982  0.626  0.524  1.0
  H  H15  1  0.518  0.126  0.976  1.0
  C  C16  1  0.286  0.654  0.096  1.0
  C  C17  1  0.214  0.154  0.404  1.0
  C  C18  1  0.214  0.346  0.596  1.0
  C  C19  1  0.286  0.846  0.904  1.0
  C  C20  1  0.714  0.346  0.904  1.0
  C  C21  1  0.786  0.846  0.596  1.0
  C  C22  1  0.786  0.654  0.404  1.0
  C  C23  1  0.714  0.154  0.096  1.0
  S  S24  1  0.285  0.498  0.117  1.0
  S  S25  1  0.215  0.998  0.383  1.0
  S  S26  1  0.215  0.502  0.617  1.0
  S  S27  1  0.285  0.002  0.883  1.0
  S  S28  1  0.715  0.502  0.883  1.0
  S  S29  1  0.785  0.002  0.617  1.0
  S  S30  1  0.785  0.498  0.383  1.0
  S  S31  1  0.715  0.998  0.117  1.0
  S  S32  1  0.149  0.753  0.165  1.0
  S  S33  1  0.351  0.253  0.335  1.0
  S  S34  1  0.351  0.247  0.665  1.0
  S  S35  1  0.149  0.747  0.835  1.0
  S  S36  1  0.851  0.247  0.835  1.0
  S  S37  1  0.649  0.747  0.665  1.0
  S  S38  1  0.649  0.753  0.335  1.0
  S  S39  1  0.851  0.253  0.165  1.0
  N  N40  1  0.411  0.691  0.019  1.0
  N  N41  1  0.089  0.191  0.481  1.0
  N  N42  1  0.089  0.309  0.519  1.0
  N  N43  1  0.411  0.809  0.981  1.0
  N  N44  1  0.589  0.309  0.981  1.0
  N  N45  1  0.911  0.809  0.519  1.0
  N  N46  1  0.911  0.691  0.481  1.0
  N  N47  1  0.589  0.191  0.019  1.0
[/CIF]
.