Materials Data on Zr5Bi3 by Materials Project
Zr5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Bi atoms. Both Zr–Zr bond lengths are 2.95 Å. All Zr–Bi bond lengths are 3.09 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 2.97–3.16 Å. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.
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