The structure described by LiSO4 crystallizes in the hexagonal P6_3 space group. 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(2) is bonded in a linear geometry to one Li(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.274
_cell_length_c   8.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   213.284
_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
  Li  Li0  1  0.667  0.333  0.184  1.0
  Li  Li1  1  0.333  0.667  0.684  1.0
  S  S2  1  0.667  0.333  0.793  1.0
  S  S3  1  0.333  0.667  0.293  1.0
  O  O4  1  0.942  0.350  0.742  1.0
  O  O5  1  0.408  0.058  0.742  1.0
  O  O6  1  0.058  0.650  0.242  1.0
  O  O7  1  0.650  0.592  0.742  1.0
  O  O8  1  0.592  0.942  0.242  1.0
  O  O9  1  0.350  0.408  0.242  1.0
  O  O10  1  0.667  0.333  0.962  1.0
  O  O11  1  0.333  0.667  0.462  1.0
[/CIF]
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The structure described by LiSO4 crystallizes in the hexagonal P6_3 space group. 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(2) is bonded in a linear geometry to one Li(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.274
_cell_length_c   8.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   213.284
_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
  Li  Li0  1  0.667  0.333  0.184  1.0
  Li  Li1  1  0.333  0.667  0.684  1.0
  S  S2  1  0.667  0.333  0.793  1.0
  S  S3  1  0.333  0.667  0.293  1.0
  O  O4  1  0.942  0.350  0.742  1.0
  O  O5  1  0.408  0.058  0.742  1.0
  O  O6  1  0.058  0.650  0.242  1.0
  O  O7  1  0.650  0.592  0.742  1.0
  O  O8  1  0.592  0.942  0.242  1.0
  O  O9  1  0.350  0.408  0.242  1.0
  O  O10  1  0.667  0.333  0.962  1.0
  O  O11  1  0.333  0.667  0.462  1.0
[/CIF]
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