The compound described by Li3Hg is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2) and four Hg(1,1) atoms to form a mixture of distorted corner, face, and edge-sharing LiLi4Hg4 tetrahedra. In the second Li site, Li(2) is bonded in a 14-coordinate geometry to eight equivalent Li(1) and six Hg(1,1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to six equivalent Li(2) and eight equivalent Li(1) atoms. In the second Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to six equivalent Li(2) and eight equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.572
_cell_length_b   4.572
_cell_length_c   4.572
_cell_angle_alpha   119.355
_cell_angle_beta   119.355
_cell_angle_gamma   91.122
_symmetry_Int_Tables_number   1
_cell_volume   68.202
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The compound described by Li3Hg is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2) and four Hg(1,1) atoms to form a mixture of distorted corner, face, and edge-sharing LiLi4Hg4 tetrahedra. In the second Li site, Li(2) is bonded in a 14-coordinate geometry to eight equivalent Li(1) and six Hg(1,1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to six equivalent Li(2) and eight equivalent Li(1) atoms. In the second Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to six equivalent Li(2) and eight equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.572
_cell_length_b   4.572
_cell_length_c   4.572
_cell_angle_alpha   119.355
_cell_angle_beta   119.355
_cell_angle_gamma   91.122
_symmetry_Int_Tables_number   1
_cell_volume   68.202
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
[/CIF]
.