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DOE OSTI · 1722644

Materials Data on Ho5Bi3 by Materials Project

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Abstract

Ho5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.11–3.53 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.12–3.51 Å. In the third Ho site, Ho is bonded to five Bi atoms to form distorted edge-sharing HoBi5 square pyramids. There are a spread of Ho–Bi bond distances ranging from 3.17–3.25 Å. In the fourth Ho site, Ho is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.06–3.37 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ho atoms.

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36 MATERIALS SCIENCEBi-Hocrystal structureHo5Bi3

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2020-05-02. Materials Data on Ho5Bi3 by Materials Project. https://doi.org/10.17188/1722644

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