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Title: Materials Data on C2SeN2 by Materials Project

Abstract

C2N2Se crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of four C2N2Se sheets oriented in the (0, 0, 1) direction. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.87 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.87 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.78 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.72 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to two C4+ and two N3- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-639826
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; C2SeN2; C-N-Se
OSTI Identifier:
1279870
DOI:
10.17188/1279870

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on C2SeN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279870.
Persson, Kristin, & Project, Materials. Materials Data on C2SeN2 by Materials Project. United States. doi:10.17188/1279870.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on C2SeN2 by Materials Project". United States. doi:10.17188/1279870. https://www.osti.gov/servlets/purl/1279870. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1279870,
title = {Materials Data on C2SeN2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {C2N2Se crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of four C2N2Se sheets oriented in the (0, 0, 1) direction. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.87 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.87 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.78 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.72 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to two C4+ and two N3- atoms.},
doi = {10.17188/1279870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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