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DOE OSTI · 1719575

Materials Data on Er5BiAu2 by Materials Project

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Abstract

Er5Au2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Au and two equivalent Bi atoms to form corner-sharing ErBi2Au4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Er–Au bond lengths are 3.13 Å. Both Er–Bi bond lengths are 3.25 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to three equivalent Au and two equivalent Bi atoms. There are one shorter (2.99 Å) and two longer (3.00 Å) Er–Au bond lengths. Both Er–Bi bond lengths are 3.38 Å. Au is bonded in a 8-coordinate geometry to eight Er atoms. Bi is bonded in a distorted q6 geometry to ten Er atoms.

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36 MATERIALS SCIENCEAu-Bi-Ercrystal structureEr5BiAu2

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2020-05-02. Materials Data on Er5BiAu2 by Materials Project. https://doi.org/10.17188/1719575

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