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Title: Materials Data on P4Se3Br2 by Materials Project

Abstract

P4Se3Br2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight P4Se3Br2 clusters. there are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to one Se2- and one Br1- atom. The P–Se bond length is 2.30 Å. The P–Br bond length is 2.29 Å. In the second P2+ site, P2+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.26 Å) and one longer (2.29 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 P2+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent P2+ atoms. Br1- is bonded in a single-bond geometry to one P2+ atom.

Publication Date:
Other Number(s):
mp-1201169
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; P4Se3Br2; Br-P-Se
OSTI Identifier:
1684593
DOI:
https://doi.org/10.17188/1684593

Citation Formats

The Materials Project. Materials Data on P4Se3Br2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684593.
The Materials Project. Materials Data on P4Se3Br2 by Materials Project. United States. doi:https://doi.org/10.17188/1684593
The Materials Project. 2020. "Materials Data on P4Se3Br2 by Materials Project". United States. doi:https://doi.org/10.17188/1684593. https://www.osti.gov/servlets/purl/1684593. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684593,
title = {Materials Data on P4Se3Br2 by Materials Project},
author = {The Materials Project},
abstractNote = {P4Se3Br2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight P4Se3Br2 clusters. there are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to one Se2- and one Br1- atom. The P–Se bond length is 2.30 Å. The P–Br bond length is 2.29 Å. In the second P2+ site, P2+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.26 Å) and one longer (2.29 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 P2+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent P2+ atoms. Br1- is bonded in a single-bond geometry to one P2+ atom.},
doi = {10.17188/1684593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}