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Title: Materials Data on P2Se5 by Materials Project

Abstract

P2Se5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four unii-w3nrx99tzk molecules. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.26–2.28 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.26 Å) and one longer (2.28 Å) P–Se bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the fourth Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the fifth Se2- site, Se2- is bonded in an L-shaped geometry to two P5+ atoms.

Publication Date:
Other Number(s):
mp-28860
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; P2Se5; P-Se
OSTI Identifier:
1202940
DOI:
https://doi.org/10.17188/1202940

Citation Formats

The Materials Project. Materials Data on P2Se5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202940.
The Materials Project. Materials Data on P2Se5 by Materials Project. United States. doi:https://doi.org/10.17188/1202940
The Materials Project. 2020. "Materials Data on P2Se5 by Materials Project". United States. doi:https://doi.org/10.17188/1202940. https://www.osti.gov/servlets/purl/1202940. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1202940,
title = {Materials Data on P2Se5 by Materials Project},
author = {The Materials Project},
abstractNote = {P2Se5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four unii-w3nrx99tzk molecules. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.26–2.28 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.26 Å) and one longer (2.28 Å) P–Se bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the fourth Se2- site, Se2- is bonded in a distorted single-bond geometry to one P5+ atom. In the fifth Se2- site, Se2- is bonded in an L-shaped geometry to two P5+ atoms.},
doi = {10.17188/1202940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}