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Title: Materials Data on CaCeC4 by Materials Project

Abstract

CaCeC4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ca–C bond distances ranging from 2.53–2.78 Å. Ce4+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ce–C bond distances ranging from 2.52–2.78 Å. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to three equivalent Ca2+, two equivalent Ce4+, and one C+1.50- atom. The C–C bond length is 1.28 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Ca2+, three equivalent Ce4+, and one C+1.50- atom. The C–C bond length is 1.30 Å.

Authors:
Publication Date:
Other Number(s):
mp-1227321
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; CaCeC4; C-Ca-Ce
OSTI Identifier:
1688206
DOI:
https://doi.org/10.17188/1688206

Citation Formats

The Materials Project. Materials Data on CaCeC4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688206.
The Materials Project. Materials Data on CaCeC4 by Materials Project. United States. doi:https://doi.org/10.17188/1688206
The Materials Project. 2019. "Materials Data on CaCeC4 by Materials Project". United States. doi:https://doi.org/10.17188/1688206. https://www.osti.gov/servlets/purl/1688206. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1688206,
title = {Materials Data on CaCeC4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCeC4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ca–C bond distances ranging from 2.53–2.78 Å. Ce4+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ce–C bond distances ranging from 2.52–2.78 Å. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to three equivalent Ca2+, two equivalent Ce4+, and one C+1.50- atom. The C–C bond length is 1.28 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Ca2+, three equivalent Ce4+, and one C+1.50- atom. The C–C bond length is 1.30 Å.},
doi = {10.17188/1688206},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}