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Title: Materials Data on Pb2Br5N by Materials Project

Abstract

Pb2NBr5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pb4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.95–3.28 Å. N3- is bonded in a distorted q6 geometry to ten Br1- atoms. There are two shorter (3.62 Å) and eight longer (3.69 Å) N–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb4+ and two equivalent N3- atoms. In the second Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent Pb4+ and two equivalent N3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1189233
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pb2Br5N; Br-N-Pb
OSTI Identifier:
1737943
DOI:
https://doi.org/10.17188/1737943

Citation Formats

The Materials Project. Materials Data on Pb2Br5N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1737943.
The Materials Project. Materials Data on Pb2Br5N by Materials Project. United States. doi:https://doi.org/10.17188/1737943
The Materials Project. 2020. "Materials Data on Pb2Br5N by Materials Project". United States. doi:https://doi.org/10.17188/1737943. https://www.osti.gov/servlets/purl/1737943. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1737943,
title = {Materials Data on Pb2Br5N by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2NBr5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pb4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.95–3.28 Å. N3- is bonded in a distorted q6 geometry to ten Br1- atoms. There are two shorter (3.62 Å) and eight longer (3.69 Å) N–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Pb4+ and two equivalent N3- atoms. In the second Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent Pb4+ and two equivalent N3- atoms.},
doi = {10.17188/1737943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}