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Title: Materials Data on PbCN2 by Materials Project

Abstract

PbCN2 crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two PbCN2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to five N3- atoms to form distorted edge-sharing PbN5 square pyramids. There are a spread of Pb–N bond distances ranging from 2.39–2.78 Å. 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. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-619032
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; PbCN2; C-N-Pb
OSTI Identifier:
1277962
DOI:
10.17188/1277962

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PbCN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277962.
Persson, Kristin, & Project, Materials. Materials Data on PbCN2 by Materials Project. United States. doi:10.17188/1277962.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PbCN2 by Materials Project". United States. doi:10.17188/1277962. https://www.osti.gov/servlets/purl/1277962. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1277962,
title = {Materials Data on PbCN2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PbCN2 crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two PbCN2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to five N3- atoms to form distorted edge-sharing PbN5 square pyramids. There are a spread of Pb–N bond distances ranging from 2.39–2.78 Å. 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. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom.},
doi = {10.17188/1277962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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