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Title: Materials Data on P4Se3 by Materials Project

Abstract

P4Se3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen tetraphosphorous triselenide molecules. there are two inequivalent P+1.50+ sites. In the first P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one Se2- atom. The P–Se bond length is 2.26 Å. In the second P+1.50+ site, P+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.27 Å) and one longer (2.28 Å) P–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two P+1.50+ atoms. The Se–P bond length is 2.26 Å. In the second Se2- site, Se2- is bonded in a water-like geometry to two P+1.50+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-569094
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; P4Se3; P-Se
OSTI Identifier:
1274930
DOI:
https://doi.org/10.17188/1274930

Citation Formats

The Materials Project. Materials Data on P4Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274930.
The Materials Project. Materials Data on P4Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1274930
The Materials Project. 2020. "Materials Data on P4Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1274930. https://www.osti.gov/servlets/purl/1274930. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274930,
title = {Materials Data on P4Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {P4Se3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen tetraphosphorous triselenide molecules. there are two inequivalent P+1.50+ sites. In the first P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one Se2- atom. The P–Se bond length is 2.26 Å. In the second P+1.50+ site, P+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.27 Å) and one longer (2.28 Å) P–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two P+1.50+ atoms. The Se–P bond length is 2.26 Å. In the second Se2- site, Se2- is bonded in a water-like geometry to two P+1.50+ atoms.},
doi = {10.17188/1274930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}