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Title: Materials Data on Al3Bi5Cl12 by Materials Project

Abstract

(Bi)5(AlCl4)3 is Iron carbide-derived structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of eighteen AlCl4 clusters and six Bi clusters. In each AlCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are two shorter (2.15 Å) and two longer (2.18 Å) Al–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Al atom. In each Bi cluster, there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.06 Å. In the second Bi site, Bi is bonded in a 6-coordinate geometry to three equivalent Bi atoms.

Publication Date:
Other Number(s):
mp-646102
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Al3Bi5Cl12; Al-Bi-Cl
OSTI Identifier:
1280605
DOI:
https://doi.org/10.17188/1280605

Citation Formats

The Materials Project. Materials Data on Al3Bi5Cl12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280605.
The Materials Project. Materials Data on Al3Bi5Cl12 by Materials Project. United States. doi:https://doi.org/10.17188/1280605
The Materials Project. 2020. "Materials Data on Al3Bi5Cl12 by Materials Project". United States. doi:https://doi.org/10.17188/1280605. https://www.osti.gov/servlets/purl/1280605. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280605,
title = {Materials Data on Al3Bi5Cl12 by Materials Project},
author = {The Materials Project},
abstractNote = {(Bi)5(AlCl4)3 is Iron carbide-derived structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of eighteen AlCl4 clusters and six Bi clusters. In each AlCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are two shorter (2.15 Å) and two longer (2.18 Å) Al–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Al atom. In each Bi cluster, there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.06 Å. In the second Bi site, Bi is bonded in a 6-coordinate geometry to three equivalent Bi atoms.},
doi = {10.17188/1280605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}