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DOE OSTI · 1731643

Materials Data on Tb5BiAu2 by Materials Project

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Abstract

Tb5Au2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Au and two equivalent Bi atoms to form corner-sharing TbBi2Au4 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. All Tb–Au bond lengths are 3.18 Å. Both Tb–Bi bond lengths are 3.30 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to three equivalent Au and two equivalent Bi atoms. There are one shorter (3.03 Å) and two longer (3.04 Å) Tb–Au bond lengths. Both Tb–Bi bond lengths are 3.42 Å. Au is bonded in a 8-coordinate geometry to eight Tb atoms. Bi is bonded in a distorted q6 geometry to ten Tb atoms.

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36 MATERIALS SCIENCEAu-Bi-Tbcrystal structureTb5BiAu2

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2020-05-04. Materials Data on Tb5BiAu2 by Materials Project. https://doi.org/10.17188/1731643

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