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Title: Materials Data on Sm2(CN2)3 by Materials Project

Abstract

Sm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Sm–N bond distances ranging from 2.41–2.58 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Sm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NSm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-568498
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; Sm2(CN2)3; C-N-Sm
OSTI Identifier:
1274463
DOI:
10.17188/1274463

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sm2(CN2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274463.
Persson, Kristin, & Project, Materials. Materials Data on Sm2(CN2)3 by Materials Project. United States. doi:10.17188/1274463.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sm2(CN2)3 by Materials Project". United States. doi:10.17188/1274463. https://www.osti.gov/servlets/purl/1274463. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274463,
title = {Materials Data on Sm2(CN2)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Sm–N bond distances ranging from 2.41–2.58 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Sm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NSm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom.},
doi = {10.17188/1274463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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