Title: Materials Data on Zr5Bi3 by Materials Project

Abstract

Zr5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Bi atoms. Both Zr–Zr bond lengths are 2.95 Å. All Zr–Bi bond lengths are 3.09 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 2.97–3.16 Å. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.

Publication Date:
Other Number(s):
mp-1207392
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Bi-Zr; crystal structure; Zr5Bi3
OSTI Identifier:
1652607
DOI:
https://doi.org/10.17188/1652607

Citation Formats

Materials Data on Zr5Bi3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652607.
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Materials Data on Zr5Bi3 by Materials Project. United States. doi:https://doi.org/10.17188/1652607
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2019. "Materials Data on Zr5Bi3 by Materials Project". United States. doi:https://doi.org/10.17188/1652607. https://www.osti.gov/servlets/purl/1652607. Pub date:Fri Jan 11 19:00:00 EST 2019
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@article{osti_1652607,
title = {Materials Data on Zr5Bi3 by Materials Project},
abstractNote = {Zr5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Bi atoms. Both Zr–Zr bond lengths are 2.95 Å. All Zr–Bi bond lengths are 3.09 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 2.97–3.16 Å. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1652607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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DOI: https://doi.org/10.17188/1652607
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