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Title: Materials Data on LiB11 by Materials Project

Abstract

LiB11 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to twenty B atoms. There are four shorter (2.37 Å) and sixteen longer (2.61 Å) Li–B bond lengths. There are four 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 is two shorter (1.79 Å) and four longer (1.82 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent Li and seven B atoms. There are a spread of B–B bond distances ranging from 1.79–1.96 Å. In the third B site, B is bonded in a 2-coordinate geometry to two equivalent Li and eight B atoms. There are a spread of B–B bond distances ranging from 1.79–2.26 Å. In the fourth B site, B is bonded in a distorted hexagonal bipyramidal geometry to eight B atoms.

Authors:
Publication Date:
Other Number(s):
mp-1101854
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; LiB11; B-Li
OSTI Identifier:
1738945
DOI:
https://doi.org/10.17188/1738945

Citation Formats

The Materials Project. Materials Data on LiB11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738945.
The Materials Project. Materials Data on LiB11 by Materials Project. United States. doi:https://doi.org/10.17188/1738945
The Materials Project. 2020. "Materials Data on LiB11 by Materials Project". United States. doi:https://doi.org/10.17188/1738945. https://www.osti.gov/servlets/purl/1738945. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738945,
title = {Materials Data on LiB11 by Materials Project},
author = {The Materials Project},
abstractNote = {LiB11 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to twenty B atoms. There are four shorter (2.37 Å) and sixteen longer (2.61 Å) Li–B bond lengths. There are four 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 is two shorter (1.79 Å) and four longer (1.82 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent Li and seven B atoms. There are a spread of B–B bond distances ranging from 1.79–1.96 Å. In the third B site, B is bonded in a 2-coordinate geometry to two equivalent Li and eight B atoms. There are a spread of B–B bond distances ranging from 1.79–2.26 Å. In the fourth B site, B is bonded in a distorted hexagonal bipyramidal geometry to eight B atoms.},
doi = {10.17188/1738945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}