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DOE OSTI · 1677893

Materials Data on CeSiPt3 by Materials Project

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Abstract

CePt3Si crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one CePt3Si sheet oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ce–Si bond lengths are 3.26 Å. There are two inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.41 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a single-bond geometry to one Si4- atom. The Pt–Si bond length is 2.31 Å. Si4- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and five Pt+0.33+ atoms.

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36 MATERIALS SCIENCECe-Pt-SiCeSiPt3crystal structure

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2019-01-12. Materials Data on CeSiPt3 by Materials Project. https://doi.org/10.17188/1677893

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