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Title: Materials Data on In4Bi3Pb by Materials Project

Abstract

In4PbBi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. In is bonded in a 5-coordinate geometry to three equivalent In and five Bi atoms. There are one shorter (3.32 Å) and two longer (3.45 Å) In–In bond lengths. There are a spread of In–Bi bond distances ranging from 3.34–3.42 Å. Pb is bonded to six Bi atoms to form corner-sharing PbBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are four shorter (3.28 Å) and two longer (3.43 Å) Pb–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to eight equivalent In and two equivalent Pb atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent In, two equivalent Pb, and one Bi atom. The Bi–Bi bond length is 3.30 Å.

Authors:
Publication Date:
Other Number(s):
mp-1106139
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In4Bi3Pb; Bi-In-Pb
OSTI Identifier:
1716841
DOI:
https://doi.org/10.17188/1716841

Citation Formats

The Materials Project. Materials Data on In4Bi3Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716841.
The Materials Project. Materials Data on In4Bi3Pb by Materials Project. United States. doi:https://doi.org/10.17188/1716841
The Materials Project. 2020. "Materials Data on In4Bi3Pb by Materials Project". United States. doi:https://doi.org/10.17188/1716841. https://www.osti.gov/servlets/purl/1716841. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1716841,
title = {Materials Data on In4Bi3Pb by Materials Project},
author = {The Materials Project},
abstractNote = {In4PbBi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. In is bonded in a 5-coordinate geometry to three equivalent In and five Bi atoms. There are one shorter (3.32 Å) and two longer (3.45 Å) In–In bond lengths. There are a spread of In–Bi bond distances ranging from 3.34–3.42 Å. Pb is bonded to six Bi atoms to form corner-sharing PbBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are four shorter (3.28 Å) and two longer (3.43 Å) Pb–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to eight equivalent In and two equivalent Pb atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent In, two equivalent Pb, and one Bi atom. The Bi–Bi bond length is 3.30 Å.},
doi = {10.17188/1716841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}