Be15Zr6Ni8 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Zr(1), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing BeZr4Be4Ni4 cuboctahedra. In the second Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. In the third Be site, Be(1) is bonded in a distorted q6 geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Zr(1), and three equivalent Ni(1) atoms. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Be(1), four equivalent Be(2), and four equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to one Be(3), three equivalent Be(1), three equivalent Be(2), and three equivalent Zr(1) atoms.
Be15Zr6Ni8 crystallizes in the cubic Fm-3m space group. There are three inequivalent Be sites. In the first Be site, Be(2) is bonded to four equivalent Be(1), four equivalent Zr(1), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing BeZr4Be4Ni4 cuboctahedra. All Be(2)-Be(1) bond lengths are 2.26 Å. All Be(2)-Zr(1) bond lengths are 2.79 Å. All Be(2)-Ni(1) bond lengths are 2.39 Å. In the second Be site, Be(3) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. All Be(3)-Ni(1) bond lengths are 2.37 Å. In the third Be site, Be(1) is bonded in a distorted q6 geometry to three equivalent Be(1), three equivalent Be(2), three equivalent Zr(1), and three equivalent Ni(1) atoms. All Be(1)-Be(1) bond lengths are 2.26 Å. All Be(1)-Zr(1) bond lengths are 2.79 Å. All Be(1)-Ni(1) bond lengths are 2.34 Å. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Be(1), four equivalent Be(2), and four equivalent Ni(1) atoms. All Zr(1)-Ni(1) bond lengths are 2.64 Å. Ni(1) is bonded in a 10-coordinate geometry to one Be(3), three equivalent Be(1), three equivalent Be(2), and three equivalent Zr(1) atoms.