The material described by CsLiW2H4SO3 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent O(1) atoms. Li(1) is bonded in a rectangular see-saw-like geometry to one H(2), one O(1), and two equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted trigonal non-coplanar geometry to one H(3) and two equivalent H(1) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one H(2), one H(3), two equivalent H(1), and two equivalent O(2) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one W(1), and one W(2) atom. In the second H site, H(2) is bonded in an L-shaped geometry to one Li(1) and one W(2) atom. In the third H site, H(3) is bonded in a bent 120 degrees geometry to one W(1) and one W(2) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one W(2), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLiH4W2SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.012
_cell_length_b   5.353
_cell_length_c   5.240
_cell_angle_alpha   120.720
_cell_angle_beta   116.472
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.425
_cell_formula_units_Z   1
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  0.051  0.002  0.003  1.0
  Li  Li1  1  0.724  0.535  0.069  1.0
  H  H2  1  0.279  0.534  0.683  1.0
  H  H3  1  0.279  0.149  0.683  1.0
  H  H4  1  0.514  0.353  0.706  1.0
  H  H5  1  0.305  0.596  0.193  1.0
  W  W6  1  0.385  0.839  0.678  1.0
  W  W7  1  0.446  0.506  0.012  1.0
  S  S8  1  0.784  0.237  0.474  1.0
  O  O9  1  0.847  0.433  0.865  1.0
  O  O10  1  0.679  0.399  0.325  1.0
  O  O11  1  0.679  0.926  0.325  1.0
[/CIF]
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The material described by CsLiW2H4SO3 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent O(1) atoms. Li(1) is bonded in a rectangular see-saw-like geometry to one H(2), one O(1), and two equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted trigonal non-coplanar geometry to one H(3) and two equivalent H(1) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one H(2), one H(3), two equivalent H(1), and two equivalent O(2) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one W(1), and one W(2) atom. In the second H site, H(2) is bonded in an L-shaped geometry to one Li(1) and one W(2) atom. In the third H site, H(3) is bonded in a bent 120 degrees geometry to one W(1) and one W(2) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one W(2), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLiH4W2SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.012
_cell_length_b   5.353
_cell_length_c   5.240
_cell_angle_alpha   120.720
_cell_angle_beta   116.472
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.425
_cell_formula_units_Z   1
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  0.051  0.002  0.003  1.0
  Li  Li1  1  0.724  0.535  0.069  1.0
  H  H2  1  0.279  0.534  0.683  1.0
  H  H3  1  0.279  0.149  0.683  1.0
  H  H4  1  0.514  0.353  0.706  1.0
  H  H5  1  0.305  0.596  0.193  1.0
  W  W6  1  0.385  0.839  0.678  1.0
  W  W7  1  0.446  0.506  0.012  1.0
  S  S8  1  0.784  0.237  0.474  1.0
  O  O9  1  0.847  0.433  0.865  1.0
  O  O10  1  0.679  0.399  0.325  1.0
  O  O11  1  0.679  0.926  0.325  1.0
[/CIF]
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