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Title: Materials Data on PbCS(BrN)2 by Materials Project

Abstract

CN2PbSBrBr crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two cyanamide molecules; two hydrobromic acid molecules; and two PbSBr ribbons oriented in the (1, 0, 0) direction. In each PbSBr ribbon, Pb2+ is bonded in an L-shaped geometry to two equivalent S2- atoms. There are one shorter (2.90 Å) and one longer (2.91 Å) Pb–S bond lengths. S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Br2+ atom. The S–Br bond length is 2.22 Å. Br2+ is bonded in a single-bond geometry to one S2- atom.

Publication Date:
Other Number(s):
mp-1179978
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; PbCS(BrN)2; Br-C-N-Pb-S
OSTI Identifier:
1676971
DOI:
https://doi.org/10.17188/1676971

Citation Formats

The Materials Project. Materials Data on PbCS(BrN)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676971.
The Materials Project. Materials Data on PbCS(BrN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676971
The Materials Project. 2019. "Materials Data on PbCS(BrN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676971. https://www.osti.gov/servlets/purl/1676971. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1676971,
title = {Materials Data on PbCS(BrN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CN2PbSBrBr crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two cyanamide molecules; two hydrobromic acid molecules; and two PbSBr ribbons oriented in the (1, 0, 0) direction. In each PbSBr ribbon, Pb2+ is bonded in an L-shaped geometry to two equivalent S2- atoms. There are one shorter (2.90 Å) and one longer (2.91 Å) Pb–S bond lengths. S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Br2+ atom. The S–Br bond length is 2.22 Å. Br2+ is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1676971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}