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Title: Materials Data on Ce(C2N3)3 by Materials Project

Abstract

Ce(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four Ce(C2N3)3 clusters. Ce3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.16 Å) and one longer (2.61 Å) Ce–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 150 degrees geometry to two N3- atoms. There is one shorter (1.61 Å) and one longer (2.21 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.22 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to one Ce3+ and four equivalent C4+ atoms. In the second N3- site, N3- is bonded in an L-shaped geometry to one C4+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one C4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672205
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; Ce(C2N3)3; C-Ce-N
OSTI Identifier:
1281762
DOI:
10.17188/1281762

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce(C2N3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281762.
Persson, Kristin, & Project, Materials. Materials Data on Ce(C2N3)3 by Materials Project. United States. doi:10.17188/1281762.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce(C2N3)3 by Materials Project". United States. doi:10.17188/1281762. https://www.osti.gov/servlets/purl/1281762. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1281762,
title = {Materials Data on Ce(C2N3)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four Ce(C2N3)3 clusters. Ce3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.16 Å) and one longer (2.61 Å) Ce–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 150 degrees geometry to two N3- atoms. There is one shorter (1.61 Å) and one longer (2.21 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.22 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to one Ce3+ and four equivalent C4+ atoms. In the second N3- site, N3- is bonded in an L-shaped geometry to one C4+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one C4+ atom.},
doi = {10.17188/1281762},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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