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Materials Data on TlHg3 by Materials Project

Hg3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded in a square co-planar geometry to four equivalent Tl atoms. All Hg–Tl bond lengths are 3.45 Å. Tl is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing TlHg12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Tl3Hg by Materials Project

HgTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Tl atoms to form HgTl12 cuboctahedra that share corners with twelve equivalent HgTl12 cuboctahedra, edges with twenty-four equivalent TlTl8Hg4 cuboctahedra, faces with six equivalent HgTl12 cuboctahedra, and faces with twelve equivalent TlTl8Hg4 cuboctahedra. All Hg–Tl bond lengths are 3.48 Å. Tl is bonded to four equivalent Hg and eight equivalent Tl atoms to form distorted TlTl8Hg4 cuboctahedra that share corners with twelve equivalent TlTl8Hg4 cuboctahedra, edges with eight equivalent HgTl12 cuboctahedra, edges with sixteen equivalent TlTl8Hg4 cuboctahedra, faces with four equivalent HgTl12 cuboctahedra, and faces with fourteen equivalent TlTl8Hg4 cuboctahedra. All Tl–Tl bond lengths are 3.48 Å.

36 MATERIALS SCIENCE↗

Materials Data on TlHg by Materials Project

Hg(Tl) crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Hg sites. In the first Hg site, Hg is bonded in a 6-coordinate geometry to six equivalent Tl atoms. All Hg–Tl bond lengths are 3.51 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to six Tl atoms. All Hg–Tl bond lengths are 3.51 Å. In the third Hg site, Hg is bonded in a 6-coordinate geometry to six Tl atoms. All Hg–Tl bond lengths are 3.51 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six Hg and six equivalent Tl atoms to form a mixture of corner, edge, and face-sharing TlTl6Hg6 cuboctahedra. All Tl–Tl bond lengths are 3.45 Å. In the second Tl site, Tl is bonded to six Hg and ten equivalent Tl atoms to form TlTl10Hg6 cuboctahedra that share corners with twelve TlTl6Hg6 cuboctahedra, edges with sixteen TlTl6Hg6 cuboctahedra, and faces with sixteen equivalent TlTl10Hg6 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.45–6.91 Å.

36 MATERIALS SCIENCE↗