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Title: Materials Data on Li2CuP by Materials Project

Abstract

Li2CuP is Sodium arsenide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent P3- atoms. The Li–Li bond length is 2.33 Å. There are one shorter (2.53 Å) and three longer (2.58 Å) Li–P bond lengths. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+, three equivalent Cu1+, and four equivalent P3- atoms. All Li–Cu bond lengths are 2.58 Å. There are one shorter (2.53 Å) and three longer (2.61 Å) Li–P bond lengths. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and three equivalent P3- atoms. All Cu–P bond lengths are 2.32 Å. P3- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-675589
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; Li2CuP; Cu-Li-P
OSTI Identifier:
1282762
DOI:
https://doi.org/10.17188/1282762

Citation Formats

The Materials Project. Materials Data on Li2CuP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282762.
The Materials Project. Materials Data on Li2CuP by Materials Project. United States. doi:https://doi.org/10.17188/1282762
The Materials Project. 2020. "Materials Data on Li2CuP by Materials Project". United States. doi:https://doi.org/10.17188/1282762. https://www.osti.gov/servlets/purl/1282762. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282762,
title = {Materials Data on Li2CuP by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CuP is Sodium arsenide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent P3- atoms. The Li–Li bond length is 2.33 Å. There are one shorter (2.53 Å) and three longer (2.58 Å) Li–P bond lengths. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+, three equivalent Cu1+, and four equivalent P3- atoms. All Li–Cu bond lengths are 2.58 Å. There are one shorter (2.53 Å) and three longer (2.61 Å) Li–P bond lengths. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and three equivalent P3- atoms. All Cu–P bond lengths are 2.32 Å. P3- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1282762},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}