Materials Data on YHgB by Materials Project
YHgB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded to six equivalent Hg and four equivalent B atoms to form a mixture of distorted face and corner-sharing YHg6B4 tetrahedra. All Y–Hg bond lengths are 3.07 Å. All Y–B bond lengths are 2.66 Å. Hg is bonded in a distorted q6 geometry to six equivalent Y and four equivalent B atoms. All Hg–B bond lengths are 2.66 Å. B is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Hg atoms.
36 MATERIALS SCIENCE↗