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Title: Materials Data on Li2B2C by Materials Project

Abstract

Li2B2C crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent C2- atoms to form distorted corner-sharing LiC4 tetrahedra. All Li–C bond lengths are 2.34 Å. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to four equivalent B and four equivalent C2- atoms. All Li–B bond lengths are 2.26 Å. All Li–C bond lengths are 2.34 Å. In the third Li1+ site, Li1+ is bonded in a 11-coordinate geometry to six equivalent B and one C2- atom. There are two shorter (2.30 Å) and four longer (2.38 Å) Li–B bond lengths. The Li–C bond length is 2.41 Å. B is bonded in a distorted single-bond geometry to four Li1+ and one C2- atom. The B–C bond length is 1.54 Å. C2- is bonded in a 2-coordinate geometry to five Li1+ and two equivalent B atoms.

Publication Date:
Other Number(s):
mp-1078212
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; Li2B2C; B-C-Li
OSTI Identifier:
1752852
DOI:
https://doi.org/10.17188/1752852

Citation Formats

The Materials Project. Materials Data on Li2B2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752852.
The Materials Project. Materials Data on Li2B2C by Materials Project. United States. doi:https://doi.org/10.17188/1752852
The Materials Project. 2020. "Materials Data on Li2B2C by Materials Project". United States. doi:https://doi.org/10.17188/1752852. https://www.osti.gov/servlets/purl/1752852. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752852,
title = {Materials Data on Li2B2C by Materials Project},
author = {The Materials Project},
abstractNote = {Li2B2C crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent C2- atoms to form distorted corner-sharing LiC4 tetrahedra. All Li–C bond lengths are 2.34 Å. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to four equivalent B and four equivalent C2- atoms. All Li–B bond lengths are 2.26 Å. All Li–C bond lengths are 2.34 Å. In the third Li1+ site, Li1+ is bonded in a 11-coordinate geometry to six equivalent B and one C2- atom. There are two shorter (2.30 Å) and four longer (2.38 Å) Li–B bond lengths. The Li–C bond length is 2.41 Å. B is bonded in a distorted single-bond geometry to four Li1+ and one C2- atom. The B–C bond length is 1.54 Å. C2- is bonded in a 2-coordinate geometry to five Li1+ and two equivalent B atoms.},
doi = {10.17188/1752852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}