U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P2S5 by Materials Project
Abstract
P2S5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two P2S5 clusters. there are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. In the third P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. In the fourth P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two P5+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-541788
- 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; P2S5; P-S
- OSTI Identifier:
- 1266093
- DOI:
- https://doi.org/10.17188/1266093
Citation Formats
The Materials Project. Materials Data on P2S5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266093.
The Materials Project. Materials Data on P2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1266093
The Materials Project. 2020.
"Materials Data on P2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1266093. https://www.osti.gov/servlets/purl/1266093. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1266093,
title = {Materials Data on P2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {P2S5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two P2S5 clusters. there are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. In the third P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. In the fourth P5+ site, P5+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are one shorter (1.92 Å) and three longer (2.12 Å) P–S bond lengths. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two P5+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two P5+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P5+ atoms. In the fifth S2- site, S2- is bonded in a single-bond geometry to one P5+ atom. In the sixth S2- site, S2- is bonded in a water-like geometry to two P5+ atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two P5+ atoms. In the eighth S2- site, S2- is bonded in a single-bond geometry to one P5+ atom. In the ninth S2- site, S2- is bonded in a water-like geometry to two P5+ atoms. In the tenth S2- site, S2- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1266093},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}