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DOE OSTI · 1355397

Materials Data on TlAsPt5 by Materials Project

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Abstract

Pt5TlAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to two equivalent Tl1+ and two equivalent As5+ atoms to form a mixture of distorted corner and edge-sharing PtTl2As2 tetrahedra. Both Pt–Tl bond lengths are 2.93 Å. Both Pt–As bond lengths are 2.54 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.88 Å. Tl1+ is bonded to twelve Pt+1.20- atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. As5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

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36 MATERIALS SCIENCEAs-Pt-Tlcrystal structureTlAsPt5

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2020-07-16. Materials Data on TlAsPt5 by Materials Project. https://doi.org/10.17188/1355397

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