Be2Zr is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Be is bonded in a 9-coordinate geometry to three equivalent Be and six equivalent Zr atoms. All Be–Be bond lengths are 2.21 Å. All Be–Zr bond lengths are 2.74 Å. Zr is bonded to twelve equivalent Be atoms to form a mixture of face and edge-sharing ZrBe12 cuboctahedra.
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