Materials Data on Zr4Pt2N by Materials Project
Zr4Pt2N crystallizes in the cubic Fd-3m 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 six equivalent Pt atoms. All Zr–Pt bond lengths are 2.81 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to four equivalent Pt and two equivalent N atoms. There are two shorter (2.80 Å) and two longer (3.28 Å) Zr–Pt bond lengths. Both Zr–N bond lengths are 2.34 Å. Pt is bonded in a 9-coordinate geometry to nine Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 36°.
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