The material described by LiKSO4 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are four 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 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to three equivalent K(1), one Li(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two 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   5.227
_cell_length_b   5.227
_cell_length_c   8.803
_cell_angle_alpha   89.836
_cell_angle_beta   89.836
_cell_angle_gamma   120.364
_symmetry_Int_Tables_number   1
_cell_volume   207.532
_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  0.039  0.036  0.506  1.0
  K  K1  1  0.036  0.039  0.006  1.0
  Li  Li2  1  0.365  0.705  0.692  1.0
  Li  Li3  1  0.705  0.365  0.192  1.0
  S  S4  1  0.700  0.369  0.802  1.0
  S  S5  1  0.369  0.700  0.302  1.0
  O  O6  1  0.978  0.644  0.756  1.0
  O  O7  1  0.644  0.978  0.256  1.0
  O  O8  1  0.437  0.384  0.749  1.0
  O  O9  1  0.384  0.437  0.249  1.0
  O  O10  1  0.342  0.688  0.471  1.0
  O  O11  1  0.688  0.342  0.971  1.0
  O  O12  1  0.104  0.695  0.236  1.0
  O  O13  1  0.695  0.104  0.736  1.0
[/CIF]
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The material described by LiKSO4 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are four 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 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to three equivalent K(1), one Li(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two 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   5.227
_cell_length_b   5.227
_cell_length_c   8.803
_cell_angle_alpha   89.836
_cell_angle_beta   89.836
_cell_angle_gamma   120.364
_symmetry_Int_Tables_number   1
_cell_volume   207.532
_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  0.039  0.036  0.506  1.0
  K  K1  1  0.036  0.039  0.006  1.0
  Li  Li2  1  0.365  0.705  0.692  1.0
  Li  Li3  1  0.705  0.365  0.192  1.0
  S  S4  1  0.700  0.369  0.802  1.0
  S  S5  1  0.369  0.700  0.302  1.0
  O  O6  1  0.978  0.644  0.756  1.0
  O  O7  1  0.644  0.978  0.256  1.0
  O  O8  1  0.437  0.384  0.749  1.0
  O  O9  1  0.384  0.437  0.249  1.0
  O  O10  1  0.342  0.688  0.471  1.0
  O  O11  1  0.688  0.342  0.971  1.0
  O  O12  1  0.104  0.695  0.236  1.0
  O  O13  1  0.695  0.104  0.736  1.0
[/CIF]
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