Be5ZrTi4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Ti(1) atoms. In the second Be site, Be(2) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. In the third Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ti(2) atoms. Zr(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Be(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Be(1) and four equivalent Be(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to four equivalent Be(2) and four equivalent Be(3) atoms.
Be5ZrTi4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Ti(1) atoms. All Be(1)-Zr(1) bond lengths are 2.73 Å. All Be(1)-Ti(1) bond lengths are 2.52 Å. In the second Be site, Be(2) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. All Be(2)-Ti(1) bond lengths are 2.56 Å. All Be(2)-Ti(2) bond lengths are 2.56 Å. In the third Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ti(2) atoms. All Be(3)-Ti(2) bond lengths are 2.55 Å. Zr(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Be(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Be(1) and four equivalent Be(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to four equivalent Be(2) and four equivalent Be(3) atoms.