Materials Data on ZrAu3 by Materials Project
Au3Zr is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Zr3+ is bonded to twelve Au1- atoms to form a mixture of corner, edge, and face-sharing ZrAu12 cuboctahedra. There are a spread of Zr–Au bond distances ranging from 2.92–3.10 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 4-coordinate geometry to four equivalent Zr3+ atoms. In the second Au1- site, Au1- is bonded in a 4-coordinate geometry to four equivalent Zr3+ atoms.
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