Materials Data on Zn3Au by Materials Project
AuZn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded to twelve equivalent Zn atoms to form a mixture of distorted face and edge-sharing AuZn12 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.87 Å) Au–Zn bond lengths. In the second Au site, Au is bonded to twelve equivalent Zn atoms to form face-sharing AuZn12 cuboctahedra. All Au–Zn bond lengths are 2.73 Å. Zn is bonded in a 4-coordinate geometry to four Au atoms.
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