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.
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. All Li(1)-Li(2) bond lengths are 2.81 Å. All Li(1)-Hg(1,1) bond lengths are 2.81 Å. 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 shorter (3.20 Å) and four longer (3.26 Å) Li(2)-Hg(1,1) bond lengths. 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.