U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P2SN6 by Materials Project
Abstract
(N2)2P2N2S crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight nitrogen molecules and four P2N2S clusters. In each P2N2S cluster, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a linear geometry to two N+1.33- atoms. There is one shorter (1.51 Å) and one longer (1.57 Å) P–N bond length. In the second P5+ site, P5+ is bonded in a bent 120 degrees geometry to one N+1.33- and one S2- atom. The P–N bond length is 1.68 Å. The P–S bond length is 1.92 Å. There are two inequivalent N+1.33- sites. In the first N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the second N+1.33- site, N+1.33- is bonded in a bent 150 degrees geometry to two P5+ atoms. S2- is bonded in a distorted single-bond geometry to one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210609
- 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; P2SN6; N-P-S
- OSTI Identifier:
- 1672369
- DOI:
- https://doi.org/10.17188/1672369
Citation Formats
The Materials Project. Materials Data on P2SN6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672369.
The Materials Project. Materials Data on P2SN6 by Materials Project. United States. doi:https://doi.org/10.17188/1672369
The Materials Project. 2020.
"Materials Data on P2SN6 by Materials Project". United States. doi:https://doi.org/10.17188/1672369. https://www.osti.gov/servlets/purl/1672369. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672369,
title = {Materials Data on P2SN6 by Materials Project},
author = {The Materials Project},
abstractNote = {(N2)2P2N2S crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight nitrogen molecules and four P2N2S clusters. In each P2N2S cluster, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a linear geometry to two N+1.33- atoms. There is one shorter (1.51 Å) and one longer (1.57 Å) P–N bond length. In the second P5+ site, P5+ is bonded in a bent 120 degrees geometry to one N+1.33- and one S2- atom. The P–N bond length is 1.68 Å. The P–S bond length is 1.92 Å. There are two inequivalent N+1.33- sites. In the first N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the second N+1.33- site, N+1.33- is bonded in a bent 150 degrees geometry to two P5+ atoms. S2- is bonded in a distorted single-bond geometry to one P5+ atom.},
doi = {10.17188/1672369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}