The compound described by LiClO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cl(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cl(1) atom. Cl(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form ClO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.792
_cell_length_b   6.717
_cell_length_c   8.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.353
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Cl  Cl4  1  0.536  0.250  0.317  1.0
  Cl  Cl5  1  0.036  0.750  0.183  1.0
  Cl  Cl6  1  0.464  0.750  0.683  1.0
  Cl  Cl7  1  0.964  0.250  0.817  1.0
  O  O8  1  0.953  0.250  0.648  1.0
  O  O9  1  0.453  0.750  0.852  1.0
  O  O10  1  0.047  0.750  0.352  1.0
  O  O11  1  0.547  0.250  0.148  1.0
  O  O12  1  0.827  0.426  0.872  1.0
  O  O13  1  0.327  0.574  0.628  1.0
  O  O14  1  0.173  0.926  0.128  1.0
  O  O15  1  0.673  0.074  0.372  1.0
  O  O16  1  0.173  0.574  0.128  1.0
  O  O17  1  0.673  0.426  0.372  1.0
  O  O18  1  0.827  0.074  0.872  1.0
  O  O19  1  0.327  0.926  0.628  1.0
  O  O20  1  0.250  0.250  0.869  1.0
  O  O21  1  0.750  0.750  0.631  1.0
  O  O22  1  0.750  0.750  0.131  1.0
  O  O23  1  0.250  0.250  0.369  1.0
[/CIF]
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The compound described by LiClO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cl(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cl(1) atom. Cl(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form ClO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.792
_cell_length_b   6.717
_cell_length_c   8.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.353
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Cl  Cl4  1  0.536  0.250  0.317  1.0
  Cl  Cl5  1  0.036  0.750  0.183  1.0
  Cl  Cl6  1  0.464  0.750  0.683  1.0
  Cl  Cl7  1  0.964  0.250  0.817  1.0
  O  O8  1  0.953  0.250  0.648  1.0
  O  O9  1  0.453  0.750  0.852  1.0
  O  O10  1  0.047  0.750  0.352  1.0
  O  O11  1  0.547  0.250  0.148  1.0
  O  O12  1  0.827  0.426  0.872  1.0
  O  O13  1  0.327  0.574  0.628  1.0
  O  O14  1  0.173  0.926  0.128  1.0
  O  O15  1  0.673  0.074  0.372  1.0
  O  O16  1  0.173  0.574  0.128  1.0
  O  O17  1  0.673  0.426  0.372  1.0
  O  O18  1  0.827  0.074  0.872  1.0
  O  O19  1  0.327  0.926  0.628  1.0
  O  O20  1  0.250  0.250  0.869  1.0
  O  O21  1  0.750  0.750  0.631  1.0
  O  O22  1  0.750  0.750  0.131  1.0
  O  O23  1  0.250  0.250  0.369  1.0
[/CIF]
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