The material described by LiKSO4 crystallizes in the trigonal P31c space group. K(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(2) and three equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one S(1) atom. is represented by the CIF file [CIF]
data_KLiSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   5.214
_cell_length_c   8.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   207.474
_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  0.000  0.000  0.180  1.0
  K  K1  1  0.000  0.000  0.680  1.0
  Li  Li2  1  0.333  0.667  0.493  1.0
  Li  Li3  1  0.667  0.333  0.993  1.0
  S  S4  1  0.333  0.667  0.883  1.0
  S  S5  1  0.667  0.333  0.383  1.0
  O  O6  1  0.940  0.339  0.438  1.0
  O  O7  1  0.601  0.661  0.938  1.0
  O  O8  1  0.661  0.601  0.438  1.0
  O  O9  1  0.399  0.060  0.438  1.0
  O  O10  1  0.333  0.667  0.714  1.0
  O  O11  1  0.667  0.333  0.214  1.0
  O  O12  1  0.339  0.940  0.938  1.0
  O  O13  1  0.060  0.399  0.938  1.0
[/CIF]
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The material described by LiKSO4 crystallizes in the trigonal P31c space group. K(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(2) and three equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one S(1) atom. is represented by the CIF file [CIF]
data_KLiSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   5.214
_cell_length_c   8.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   207.474
_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  0.000  0.000  0.180  1.0
  K  K1  1  0.000  0.000  0.680  1.0
  Li  Li2  1  0.333  0.667  0.493  1.0
  Li  Li3  1  0.667  0.333  0.993  1.0
  S  S4  1  0.333  0.667  0.883  1.0
  S  S5  1  0.667  0.333  0.383  1.0
  O  O6  1  0.940  0.339  0.438  1.0
  O  O7  1  0.601  0.661  0.938  1.0
  O  O8  1  0.661  0.601  0.438  1.0
  O  O9  1  0.399  0.060  0.438  1.0
  O  O10  1  0.333  0.667  0.714  1.0
  O  O11  1  0.667  0.333  0.214  1.0
  O  O12  1  0.339  0.940  0.938  1.0
  O  O13  1  0.060  0.399  0.938  1.0
[/CIF]
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