ZrBeSi crystallizes in the hexagonal P6_3/mmc space group. Be(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent Si(1) atoms. Zr(1) is bonded to six equivalent Be(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing ZrBe6Si6 cuboctahedra. Si(1) is bonded in a distorted trigonal planar geometry to three equivalent Be(1) and six equivalent Zr(1) atoms.
ZrBeSi crystallizes in the hexagonal P6_3/mmc space group. Be(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent Si(1) atoms. All Be(1)-Zr(1) bond lengths are 2.81 Å. All Be(1)-Si(1) bond lengths are 2.15 Å. Zr(1) is bonded to six equivalent Be(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing ZrBe6Si6 cuboctahedra. All Zr(1)-Si(1) bond lengths are 2.81 Å. Si(1) is bonded in a distorted trigonal planar geometry to three equivalent Be(1) and six equivalent Zr(1) atoms.