Materials Data on ZrTi4Be5 by Materials Project
Be5ZrTi4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Ti atoms. All Be–Zr bond lengths are 2.73 Å. All Be–Ti bond lengths are 2.52 Å. In the second Be site, Be is bonded in a body-centered cubic geometry to eight Ti atoms. All Be–Ti bond lengths are 2.56 Å. In the third Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. All Be–Ti bond lengths are 2.55 Å. Zr is bonded in a distorted body-centered cubic geometry to eight equivalent Be atoms. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Be atoms. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Be atoms.