The material structure described by CsLiH4S2(NO3)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one N(1), one O(1), one O(2), two equivalent O(4), two equivalent O(6), and three equivalent O(5) atoms. Li(1) is bonded to one O(2), one O(3), one O(4), 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 distorted trigonal non-coplanar geometry to one Cs(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 single-bond geometry to one Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom. is represented by the CIF file [CIF]
data_CsLiH4S2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   8.053
_cell_length_c   9.988
_cell_angle_alpha   105.428
_cell_angle_beta   103.517
_cell_angle_gamma   86.660
_symmetry_Int_Tables_number   1
_cell_volume   421.809
_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
  Cs  Cs0  1  0.803  0.242  0.085  1.0
  Cs  Cs1  1  0.197  0.758  0.915  1.0
  Li  Li2  1  0.646  0.387  0.709  1.0
  Li  Li3  1  0.354  0.613  0.291  1.0
  H  H4  1  0.098  0.270  0.505  1.0
  H  H5  1  0.902  0.730  0.495  1.0
  H  H6  1  0.201  0.465  0.512  1.0
  H  H7  1  0.799  0.535  0.488  1.0
  H  H8  1  0.286  0.031  0.646  1.0
  H  H9  1  0.714  0.969  0.354  1.0
  H  H10  1  0.982  0.047  0.640  1.0
  H  H11  1  0.018  0.953  0.360  1.0
  S  S12  1  0.392  0.256  0.384  1.0
  S  S13  1  0.608  0.744  0.616  1.0
  S  S14  1  0.198  0.252  0.815  1.0
  S  S15  1  0.802  0.748  0.185  1.0
  N  N16  1  0.149  0.345  0.446  1.0
  N  N17  1  0.851  0.655  0.554  1.0
  N  N18  1  0.140  0.114  0.653  1.0
  N  N19  1  0.860  0.886  0.347  1.0
  O  O20  1  0.317  0.081  0.300  1.0
  O  O21  1  0.683  0.919  0.700  1.0
  O  O22  1  0.438  0.368  0.297  1.0
  O  O23  1  0.562  0.632  0.703  1.0
  O  O24  1  0.605  0.258  0.504  1.0
  O  O25  1  0.395  0.742  0.496  1.0
  O  O26  1  0.417  0.348  0.819  1.0
  O  O27  1  0.583  0.652  0.181  1.0
  O  O28  1  0.243  0.157  0.926  1.0
  O  O29  1  0.757  0.843  0.074  1.0
  O  O30  1  0.977  0.360  0.817  1.0
  O  O31  1  0.023  0.640  0.183  1.0
[/CIF]
.
The material structure described by CsLiH4S2(NO3)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one N(1), one O(1), one O(2), two equivalent O(4), two equivalent O(6), and three equivalent O(5) atoms. Li(1) is bonded to one O(2), one O(3), one O(4), 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 distorted trigonal non-coplanar geometry to one Cs(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 single-bond geometry to one Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom. is represented by the CIF file [CIF]
data_CsLiH4S2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   8.053
_cell_length_c   9.988
_cell_angle_alpha   105.428
_cell_angle_beta   103.517
_cell_angle_gamma   86.660
_symmetry_Int_Tables_number   1
_cell_volume   421.809
_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
  Cs  Cs0  1  0.803  0.242  0.085  1.0
  Cs  Cs1  1  0.197  0.758  0.915  1.0
  Li  Li2  1  0.646  0.387  0.709  1.0
  Li  Li3  1  0.354  0.613  0.291  1.0
  H  H4  1  0.098  0.270  0.505  1.0
  H  H5  1  0.902  0.730  0.495  1.0
  H  H6  1  0.201  0.465  0.512  1.0
  H  H7  1  0.799  0.535  0.488  1.0
  H  H8  1  0.286  0.031  0.646  1.0
  H  H9  1  0.714  0.969  0.354  1.0
  H  H10  1  0.982  0.047  0.640  1.0
  H  H11  1  0.018  0.953  0.360  1.0
  S  S12  1  0.392  0.256  0.384  1.0
  S  S13  1  0.608  0.744  0.616  1.0
  S  S14  1  0.198  0.252  0.815  1.0
  S  S15  1  0.802  0.748  0.185  1.0
  N  N16  1  0.149  0.345  0.446  1.0
  N  N17  1  0.851  0.655  0.554  1.0
  N  N18  1  0.140  0.114  0.653  1.0
  N  N19  1  0.860  0.886  0.347  1.0
  O  O20  1  0.317  0.081  0.300  1.0
  O  O21  1  0.683  0.919  0.700  1.0
  O  O22  1  0.438  0.368  0.297  1.0
  O  O23  1  0.562  0.632  0.703  1.0
  O  O24  1  0.605  0.258  0.504  1.0
  O  O25  1  0.395  0.742  0.496  1.0
  O  O26  1  0.417  0.348  0.819  1.0
  O  O27  1  0.583  0.652  0.181  1.0
  O  O28  1  0.243  0.157  0.926  1.0
  O  O29  1  0.757  0.843  0.074  1.0
  O  O30  1  0.977  0.360  0.817  1.0
  O  O31  1  0.023  0.640  0.183  1.0
[/CIF]
.