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Title: Materials Data on LaB4 by Materials Project

Abstract

LaB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of La–B bond distances ranging from 2.81–3.14 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent La and five B atoms. There is one shorter (1.72 Å) and four longer (1.79 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent La and five B atoms. There is one shorter (1.77 Å) and two longer (1.84 Å) B–B bond length. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent La and three B atoms. The B–B bond length is 1.84 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7283
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; LaB4; B-La
OSTI Identifier:
1287636
DOI:
10.17188/1287636

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287636.
Persson, Kristin, & Project, Materials. Materials Data on LaB4 by Materials Project. United States. doi:10.17188/1287636.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaB4 by Materials Project". United States. doi:10.17188/1287636. https://www.osti.gov/servlets/purl/1287636. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287636,
title = {Materials Data on LaB4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of La–B bond distances ranging from 2.81–3.14 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent La and five B atoms. There is one shorter (1.72 Å) and four longer (1.79 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent La and five B atoms. There is one shorter (1.77 Å) and two longer (1.84 Å) B–B bond length. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent La and three B atoms. The B–B bond length is 1.84 Å.},
doi = {10.17188/1287636},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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