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AuYb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Yb–Au bond lengths are 3.10 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
AuYb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Yb–Au bond distances ranging from 3.04–3.14 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Yb atoms.