Materials Data on Ti3ZnHg4 by Materials Project
Ti3Hg4Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Hg atoms. All Ti–Hg bond lengths are 2.95 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms. All Ti–Hg bond lengths are 2.96 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Hg–Zn bond lengths are 2.94 Å. In the second Hg site, Hg is bonded in a distorted body-centered cubic geometry to eight Ti atoms. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.