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Title: Materials Data on LiCuCO3 by Materials Project

Abstract

LiCuCO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two LiCuCO3 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.44–2.08 Å. Cu1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.85–2.13 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu1+, and one C4+ atom.

Publication Date:
Other Number(s):
mp-760512
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; LiCuCO3; C-Cu-Li-O
OSTI Identifier:
1291662
DOI:
10.17188/1291662

Citation Formats

The Materials Project. Materials Data on LiCuCO3 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1291662.
The Materials Project. Materials Data on LiCuCO3 by Materials Project. United States. doi:10.17188/1291662.
The Materials Project. 2014. "Materials Data on LiCuCO3 by Materials Project". United States. doi:10.17188/1291662. https://www.osti.gov/servlets/purl/1291662. Pub date:Tue Feb 11 00:00:00 EST 2014
@article{osti_1291662,
title = {Materials Data on LiCuCO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCuCO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two LiCuCO3 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.44–2.08 Å. Cu1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.85–2.13 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu1+, and one C4+ atom.},
doi = {10.17188/1291662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

Dataset:

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