skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ca2CeO4 by Materials Project

Abstract

Ca2CeO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.49 Å. Ce4+ is bonded to six O2- atoms to form edge-sharing CeO6 octahedra. There are two shorter (2.21 Å) and four longer (2.29 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+ and one Ce4+ atom to form a mixture of distorted corner and edge-sharing OCa4Ce square pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Ce4+ atoms.

Publication Date:
Other Number(s):
mp-755597
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; Ca2CeO4; Ca-Ce-O
OSTI Identifier:
1290101
DOI:
10.17188/1290101

Citation Formats

The Materials Project. Materials Data on Ca2CeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290101.
The Materials Project. Materials Data on Ca2CeO4 by Materials Project. United States. doi:10.17188/1290101.
The Materials Project. 2020. "Materials Data on Ca2CeO4 by Materials Project". United States. doi:10.17188/1290101. https://www.osti.gov/servlets/purl/1290101. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1290101,
title = {Materials Data on Ca2CeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2CeO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.49 Å. Ce4+ is bonded to six O2- atoms to form edge-sharing CeO6 octahedra. There are two shorter (2.21 Å) and four longer (2.29 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+ and one Ce4+ atom to form a mixture of distorted corner and edge-sharing OCa4Ce square pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Ce4+ atoms.},
doi = {10.17188/1290101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: