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DOE OSTI · 1315994

Materials Data on SmAs2Au by Materials Project

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Abstract

SmAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.21 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are a spread of Au–As bond distances ranging from 2.81–2.84 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.65 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.

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36 MATERIALS SCIENCEAs-Au-Smcrystal structureSmAs2Au

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2020-07-17. Materials Data on SmAs2Au by Materials Project. https://doi.org/10.17188/1315994

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