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Title: Materials Data on LiCuPO4 by Materials Project

Abstract

LiCuPO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent CuO4 trigonal pyramids. All Li–O bond lengths are 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form distorted CuO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent LiO4 trigonal pyramids. All Cu–O bond lengths are 1.99 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 trigonal pyramids and corners with four equivalent CuO4 trigonal pyramids. All P–O bond lengths are 1.56 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-26477
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; LiCuPO4; Cu-Li-O-P
OSTI Identifier:
1201177
DOI:
https://doi.org/10.17188/1201177

Citation Formats

The Materials Project. Materials Data on LiCuPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201177.
The Materials Project. Materials Data on LiCuPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1201177
The Materials Project. 2020. "Materials Data on LiCuPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1201177. https://www.osti.gov/servlets/purl/1201177. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1201177,
title = {Materials Data on LiCuPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCuPO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent CuO4 trigonal pyramids. All Li–O bond lengths are 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form distorted CuO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and corners with four equivalent LiO4 trigonal pyramids. All Cu–O bond lengths are 1.99 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 trigonal pyramids and corners with four equivalent CuO4 trigonal pyramids. All P–O bond lengths are 1.56 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom.},
doi = {10.17188/1201177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}