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Title: Materials Data on LiAlB14 by Materials Project

Abstract

AlLiB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to sixteen B atoms. There are a spread of Li–B bond distances ranging from 2.43–2.79 Å. Al is bonded to twelve B atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.08–2.43 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to two equivalent Li and six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Li, two equivalent Al, and four B atoms. There are a spread of B–B bond distances ranging from 1.75–2.08 Å. In the third B site, B is bonded in a 8-coordinate geometry to one Li, one Al, and six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.82 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two equivalent Al and six B atoms. The B–B bond length is 1.84 Å. In the fifthmore » B site, B is bonded in a 6-coordinate geometry to one Li and six B atoms. The B–B bond length is 1.73 Å.« less

Publication Date:
Other Number(s):
mp-8204
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; LiAlB14; Al-B-Li
OSTI Identifier:
1307964
DOI:
https://doi.org/10.17188/1307964

Citation Formats

The Materials Project. Materials Data on LiAlB14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307964.
The Materials Project. Materials Data on LiAlB14 by Materials Project. United States. doi:https://doi.org/10.17188/1307964
The Materials Project. 2020. "Materials Data on LiAlB14 by Materials Project". United States. doi:https://doi.org/10.17188/1307964. https://www.osti.gov/servlets/purl/1307964. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1307964,
title = {Materials Data on LiAlB14 by Materials Project},
author = {The Materials Project},
abstractNote = {AlLiB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to sixteen B atoms. There are a spread of Li–B bond distances ranging from 2.43–2.79 Å. Al is bonded to twelve B atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.08–2.43 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to two equivalent Li and six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Li, two equivalent Al, and four B atoms. There are a spread of B–B bond distances ranging from 1.75–2.08 Å. In the third B site, B is bonded in a 8-coordinate geometry to one Li, one Al, and six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.82 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two equivalent Al and six B atoms. The B–B bond length is 1.84 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to one Li and six B atoms. The B–B bond length is 1.73 Å.},
doi = {10.17188/1307964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}