Materials Data on P2Pb3S8 by Materials Project
Abstract
Pb3(PS4)2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.92–3.66 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.03 Å) and three longer (2.07 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.05 Å) and one longer (2.09 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28140
- 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; P2Pb3S8; P-Pb-S
- OSTI Identifier:
- 1202261
- DOI:
- https://doi.org/10.17188/1202261
Citation Formats
The Materials Project. Materials Data on P2Pb3S8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202261.
The Materials Project. Materials Data on P2Pb3S8 by Materials Project. United States. doi:https://doi.org/10.17188/1202261
The Materials Project. 2020.
"Materials Data on P2Pb3S8 by Materials Project". United States. doi:https://doi.org/10.17188/1202261. https://www.osti.gov/servlets/purl/1202261. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202261,
title = {Materials Data on P2Pb3S8 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3(PS4)2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.92–3.66 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.03 Å) and three longer (2.07 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.05 Å) and one longer (2.09 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom.},
doi = {10.17188/1202261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}