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Materials Data on ZrPt8 by Materials Project

Pt8Zr crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Pt8Zr ribbons oriented in the (0, 0, 1) direction. Zr4+ is bonded to twelve Pt+0.50- atoms to form face-sharing ZrPt12 cuboctahedra. All Zr–Pt bond lengths are 2.83 Å. There are two inequivalent Pt+0.50- sites. In the first Pt+0.50- site, Pt+0.50- is bonded in a distorted single-bond geometry to one Zr4+ atom. In the second Pt+0.50- site, Pt+0.50- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗