U.S. Department of EnergyOffice of Scientific and Technical Information
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}
}