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Title: Materials Data on LiCu2PO4 by Materials Project

Abstract

LiCu2PO4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All Li–O bond lengths are 2.02 Å. Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent CuO4 tetrahedra, and corners with four equivalent PO4 tetrahedra. All Cu–O bond lengths are 2.10 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All P–O bond lengths are 1.56 Å. O2- is bonded to one Li1+, two equivalent Cu1+, and one P5+ atom to form distorted corner-sharing OLiCu2P tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-758070
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; LiCu2PO4; Cu-Li-O-P
OSTI Identifier:
1290976
DOI:
https://doi.org/10.17188/1290976

Citation Formats

The Materials Project. Materials Data on LiCu2PO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290976.
The Materials Project. Materials Data on LiCu2PO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290976
The Materials Project. 2020. "Materials Data on LiCu2PO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290976. https://www.osti.gov/servlets/purl/1290976. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290976,
title = {Materials Data on LiCu2PO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCu2PO4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All Li–O bond lengths are 2.02 Å. Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent CuO4 tetrahedra, and corners with four equivalent PO4 tetrahedra. All Cu–O bond lengths are 2.10 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All P–O bond lengths are 1.56 Å. O2- is bonded to one Li1+, two equivalent Cu1+, and one P5+ atom to form distorted corner-sharing OLiCu2P tetrahedra.},
doi = {10.17188/1290976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}