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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 8-coordinate geometry to sixteen B atoms. There are a spread of Li–B bond distances ranging from 2.40–2.75 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 10-coordinate geometry to two equivalent Li and eight B atoms. There are a spread of B–B bond distances ranging from 1.79–2.01 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Li and six B atoms. There are two shorter (1.86 Å) and two longer (2.22 Å) B–B bond lengths. In the third B site, B is bonded in a 7-coordinate geometry to one Li and nine B atoms. There are a spread of B–B bond distances ranging from 1.81–2.32 Å. In the fourth B site, B is bonded in a distorted hexagonal planar geometry to six B atoms.

Publication Date:
Other Number(s):
mp-1103120
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; LiB11; B-Li
OSTI Identifier:
1710669
DOI:
https://doi.org/10.17188/1710669

Citation Formats

The Materials Project. Materials Data on LiB11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710669.
The Materials Project. Materials Data on LiB11 by Materials Project. United States. doi:https://doi.org/10.17188/1710669
The Materials Project. 2020. "Materials Data on LiB11 by Materials Project". United States. doi:https://doi.org/10.17188/1710669. https://www.osti.gov/servlets/purl/1710669. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710669,
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 8-coordinate geometry to sixteen B atoms. There are a spread of Li–B bond distances ranging from 2.40–2.75 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 10-coordinate geometry to two equivalent Li and eight B atoms. There are a spread of B–B bond distances ranging from 1.79–2.01 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Li and six B atoms. There are two shorter (1.86 Å) and two longer (2.22 Å) B–B bond lengths. In the third B site, B is bonded in a 7-coordinate geometry to one Li and nine B atoms. There are a spread of B–B bond distances ranging from 1.81–2.32 Å. In the fourth B site, B is bonded in a distorted hexagonal planar geometry to six B atoms.},
doi = {10.17188/1710669},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}