U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pb2S(O2F)2 by Materials Project
Abstract
Pb2S(O2F)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to four O2- and four equivalent F1- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.90 Å. There are a spread of Pb–F bond distances ranging from 2.52–2.66 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. F1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-557531
- 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; Pb2S(O2F)2; F-O-Pb-S
- OSTI Identifier:
- 1269883
- DOI:
- https://doi.org/10.17188/1269883
Citation Formats
The Materials Project. Materials Data on Pb2S(O2F)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269883.
The Materials Project. Materials Data on Pb2S(O2F)2 by Materials Project. United States. doi:https://doi.org/10.17188/1269883
The Materials Project. 2020.
"Materials Data on Pb2S(O2F)2 by Materials Project". United States. doi:https://doi.org/10.17188/1269883. https://www.osti.gov/servlets/purl/1269883. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269883,
title = {Materials Data on Pb2S(O2F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2S(O2F)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to four O2- and four equivalent F1- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.90 Å. There are a spread of Pb–F bond distances ranging from 2.52–2.66 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. F1- is bonded in a 4-coordinate geometry to four equivalent Pb2+ atoms.},
doi = {10.17188/1269883},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}