Materials Data on Pb3SO6 by Materials Project
Abstract
Pb3O2(SO4) crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Pb–O bond lengths are 2.32 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–2.80 Å. In the third Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–3.22 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-22023
- 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; Pb3SO6; O-Pb-S
- OSTI Identifier:
- 1197294
- DOI:
- https://doi.org/10.17188/1197294
Citation Formats
The Materials Project. Materials Data on Pb3SO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197294.
The Materials Project. Materials Data on Pb3SO6 by Materials Project. United States. doi:https://doi.org/10.17188/1197294
The Materials Project. 2020.
"Materials Data on Pb3SO6 by Materials Project". United States. doi:https://doi.org/10.17188/1197294. https://www.osti.gov/servlets/purl/1197294. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1197294,
title = {Materials Data on Pb3SO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3O2(SO4) crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Pb–O bond lengths are 2.32 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–2.80 Å. In the third Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–3.22 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one S6+ atom.},
doi = {10.17188/1197294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}