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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Hg3Bi by Materials Project

Hg3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to eight equivalent Hg and four equivalent Bi atoms to form distorted HgHg8Bi4 cuboctahedra that share corners with twelve equivalent HgHg8Bi4 cuboctahedra, edges with eight equivalent BiHg12 cuboctahedra, edges with sixteen equivalent HgHg8Bi4 cuboctahedra, faces with four equivalent BiHg12 cuboctahedra, and faces with fourteen equivalent HgHg8Bi4 cuboctahedra. All Hg–Hg bond lengths are 3.37 Å. All Hg–Bi bond lengths are 3.37 Å. Bi is bonded to twelve equivalent Hg atoms to form BiHg12 cuboctahedra that share corners with twelve equivalent BiHg12 cuboctahedra, edges with twenty-four equivalent HgHg8Bi4 cuboctahedra, faces with six equivalent BiHg12 cuboctahedra, and faces with twelve equivalent HgHg8Bi4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgBi3 by Materials Project

HgBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Bi atoms to form HgBi12 cuboctahedra that share corners with twelve equivalent HgBi12 cuboctahedra, edges with twenty-four equivalent BiHg4Bi8 cuboctahedra, faces with six equivalent HgBi12 cuboctahedra, and faces with twelve equivalent BiHg4Bi8 cuboctahedra. All Hg–Bi bond lengths are 3.50 Å. Bi is bonded to four equivalent Hg and eight equivalent Bi atoms to form BiHg4Bi8 cuboctahedra that share corners with twelve equivalent BiHg4Bi8 cuboctahedra, edges with eight equivalent HgBi12 cuboctahedra, edges with sixteen equivalent BiHg4Bi8 cuboctahedra, faces with four equivalent HgBi12 cuboctahedra, and faces with fourteen equivalent BiHg4Bi8 cuboctahedra. All Bi–Bi bond lengths are 3.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgBi3 by Materials Project

HgBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Hg–Bi bond lengths are 3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Hg and eight Bi atoms to form a mixture of distorted corner, edge, and face-sharing BiHg4Bi8 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.61 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.

36 MATERIALS SCIENCE↗