The material described by KLiH4S2(NO3)2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 9-coordinate geometry to one N(1), one O(2), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent S(1)NO3 tetrahedra and corners with two equivalent S(2)NO3 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one K(1), one H(1), one H(2), and one S(1) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one H(3), one H(4), and one S(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) 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 SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. In the second S site, S(2) is bonded to one N(2), one O(4), one O(5), and one O(6) atom to form SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Li(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(2) atom. is represented by the CIF card [CIF]
data_KLiH4S2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.569
_cell_length_b   5.302
_cell_length_c   9.003
_cell_angle_alpha   75.155
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   395.403
_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  0.202  0.465  1.0
  K  K1  1  0.000  0.798  0.535  1.0
  Li  Li2  1  0.807  0.093  0.843  1.0
  Li  Li3  1  0.307  0.907  0.157  1.0
  H  H4  1  0.159  0.459  0.858  1.0
  H  H5  1  0.659  0.541  0.142  1.0
  H  H6  1  0.292  0.487  0.715  1.0
  H  H7  1  0.792  0.513  0.285  1.0
  H  H8  1  0.023  0.627  0.048  1.0
  H  H9  1  0.523  0.373  0.952  1.0
  H  H10  1  0.953  0.319  0.079  1.0
  H  H11  1  0.453  0.681  0.921  1.0
  S  S12  1  0.191  0.087  0.794  1.0
  S  S13  1  0.691  0.913  0.206  1.0
  S  S14  1  0.133  0.358  0.253  1.0
  S  S15  1  0.633  0.642  0.747  1.0
  N  N16  1  0.185  0.410  0.757  1.0
  N  N17  1  0.685  0.590  0.243  1.0
  N  N18  1  0.051  0.432  0.079  1.0
  N  N19  1  0.551  0.568  0.921  1.0
  O  O20  1  0.257  0.030  0.657  1.0
  O  O21  1  0.757  0.970  0.343  1.0
  O  O22  1  0.028  0.999  0.823  1.0
  O  O23  1  0.528  0.001  0.177  1.0
  O  O24  1  0.289  0.982  0.931  1.0
  O  O25  1  0.789  0.018  0.069  1.0
  O  O26  1  0.021  0.400  0.368  1.0
  O  O27  1  0.521  0.600  0.632  1.0
  O  O28  1  0.270  0.531  0.237  1.0
  O  O29  1  0.770  0.469  0.763  1.0
  O  O30  1  0.177  0.081  0.281  1.0
  O  O31  1  0.677  0.919  0.719  1.0
[/CIF]
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The material described by KLiH4S2(NO3)2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 9-coordinate geometry to one N(1), one O(2), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent S(1)NO3 tetrahedra and corners with two equivalent S(2)NO3 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one K(1), one H(1), one H(2), and one S(1) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one H(3), one H(4), and one S(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) 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 SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. In the second S site, S(2) is bonded to one N(2), one O(4), one O(5), and one O(6) atom to form SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Li(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(2) atom. is represented by the CIF card [CIF]
data_KLiH4S2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.569
_cell_length_b   5.302
_cell_length_c   9.003
_cell_angle_alpha   75.155
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   395.403
_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  0.202  0.465  1.0
  K  K1  1  0.000  0.798  0.535  1.0
  Li  Li2  1  0.807  0.093  0.843  1.0
  Li  Li3  1  0.307  0.907  0.157  1.0
  H  H4  1  0.159  0.459  0.858  1.0
  H  H5  1  0.659  0.541  0.142  1.0
  H  H6  1  0.292  0.487  0.715  1.0
  H  H7  1  0.792  0.513  0.285  1.0
  H  H8  1  0.023  0.627  0.048  1.0
  H  H9  1  0.523  0.373  0.952  1.0
  H  H10  1  0.953  0.319  0.079  1.0
  H  H11  1  0.453  0.681  0.921  1.0
  S  S12  1  0.191  0.087  0.794  1.0
  S  S13  1  0.691  0.913  0.206  1.0
  S  S14  1  0.133  0.358  0.253  1.0
  S  S15  1  0.633  0.642  0.747  1.0
  N  N16  1  0.185  0.410  0.757  1.0
  N  N17  1  0.685  0.590  0.243  1.0
  N  N18  1  0.051  0.432  0.079  1.0
  N  N19  1  0.551  0.568  0.921  1.0
  O  O20  1  0.257  0.030  0.657  1.0
  O  O21  1  0.757  0.970  0.343  1.0
  O  O22  1  0.028  0.999  0.823  1.0
  O  O23  1  0.528  0.001  0.177  1.0
  O  O24  1  0.289  0.982  0.931  1.0
  O  O25  1  0.789  0.018  0.069  1.0
  O  O26  1  0.021  0.400  0.368  1.0
  O  O27  1  0.521  0.600  0.632  1.0
  O  O28  1  0.270  0.531  0.237  1.0
  O  O29  1  0.770  0.469  0.763  1.0
  O  O30  1  0.177  0.081  0.281  1.0
  O  O31  1  0.677  0.919  0.719  1.0
[/CIF]
.