U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1189233
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-N-Pb; Pb2Br5N; crystal structure
- OSTI Identifier:
- 1737943
- DOI:
- https://doi.org/10.17188/1737943
Citation Formats
Materials Data on Pb2Br5N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1737943.
Materials Data on Pb2Br5N by Materials Project. United States. doi:https://doi.org/10.17188/1737943
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 04:00:00 UTC 2020
@article{osti_1737943,
title = {Materials Data on Pb2Br5N by 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}
}
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