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Title: Materials Data on PbCN2 by Materials Project

Abstract

PbCN2 crystallizes in the orthorhombic Pnma 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 edge-sharing PbN5 square pyramids. There are a spread of Pb–N bond distances ranging from 2.39–2.68 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.23 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.

Publication Date:
Other Number(s):
mp-19727
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:
1194935
DOI:
https://doi.org/10.17188/1194935

Citation Formats

The Materials Project. Materials Data on PbCN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194935.
The Materials Project. Materials Data on PbCN2 by Materials Project. United States. doi:https://doi.org/10.17188/1194935
The Materials Project. 2020. "Materials Data on PbCN2 by Materials Project". United States. doi:https://doi.org/10.17188/1194935. https://www.osti.gov/servlets/purl/1194935. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1194935,
title = {Materials Data on PbCN2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbCN2 crystallizes in the orthorhombic Pnma 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 edge-sharing PbN5 square pyramids. There are a spread of Pb–N bond distances ranging from 2.39–2.68 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.23 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 = {10.17188/1194935},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}