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Title: Materials Data on ZnBi3 by Materials Project

Abstract

ZnBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Zn–Bi bond lengths are 3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Zn and eight Bi atoms to form a mixture of distorted edge, face, and corner-sharing BiZn4Bi8 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.57 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.

Authors:
Publication Date:
Other Number(s):
mp-971718
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; ZnBi3; Bi-Zn
OSTI Identifier:
1313590
DOI:
https://doi.org/10.17188/1313590

Citation Formats

The Materials Project. Materials Data on ZnBi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313590.
The Materials Project. Materials Data on ZnBi3 by Materials Project. United States. doi:https://doi.org/10.17188/1313590
The Materials Project. 2020. "Materials Data on ZnBi3 by Materials Project". United States. doi:https://doi.org/10.17188/1313590. https://www.osti.gov/servlets/purl/1313590. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313590,
title = {Materials Data on ZnBi3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Zn–Bi bond lengths are 3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Zn and eight Bi atoms to form a mixture of distorted edge, face, and corner-sharing BiZn4Bi8 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.57 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.},
doi = {10.17188/1313590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}