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Title: Materials Data on Ca2Co2O5 by Materials Project

Abstract

Ca2Co2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.88 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There are a spread of Co–O bond distances ranging from 1.87–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+ and two equivalent Co3+ atoms to form edge-sharing OCa4Co2 octahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ca2+ and two equivalent Co3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Ca2+ and two equivalent Co3+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-3978
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; Ca2Co2O5; Ca-Co-O
OSTI Identifier:
1320803
DOI:
https://doi.org/10.17188/1320803

Citation Formats

The Materials Project. Materials Data on Ca2Co2O5 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1320803.
The Materials Project. Materials Data on Ca2Co2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1320803
The Materials Project. 2014. "Materials Data on Ca2Co2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1320803. https://www.osti.gov/servlets/purl/1320803. Pub date:Tue Sep 30 00:00:00 EDT 2014
@article{osti_1320803,
title = {Materials Data on Ca2Co2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2Co2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.88 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There are a spread of Co–O bond distances ranging from 1.87–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+ and two equivalent Co3+ atoms to form edge-sharing OCa4Co2 octahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ca2+ and two equivalent Co3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Ca2+ and two equivalent Co3+ atoms.},
doi = {10.17188/1320803},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Sep 30 00:00:00 EDT 2014},
month = {Tue Sep 30 00:00:00 EDT 2014}
}