skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PBr7 by Materials Project

Abstract

PBr7 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four PBr7 ribbons oriented in the (1, 0, 0) direction. P is bonded in a tetrahedral geometry to four Br atoms. There are two shorter (2.19 Å) and two longer (2.20 Å) P–Br bond lengths. There are six inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two Br atoms. There are one shorter (2.42 Å) and one longer (2.86 Å) Br–Br bond lengths. In the second Br site, Br is bonded in a single-bond geometry to one Br atom. In the third Br site, Br is bonded in a single-bond geometry to one P atom. In the fourth Br site, Br is bonded in a single-bond geometry to one P and one Br atom. The Br–Br bond length is 3.10 Å. In the fifth Br site, Br is bonded in a distorted trigonal non-coplanar geometry to three Br atoms. In the sixth Br site, Br is bonded in a single-bond geometry to one P atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647343
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; PBr7; Br-P
OSTI Identifier:
1280697
DOI:
10.17188/1280697

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PBr7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280697.
Persson, Kristin, & Project, Materials. Materials Data on PBr7 by Materials Project. United States. doi:10.17188/1280697.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PBr7 by Materials Project". United States. doi:10.17188/1280697. https://www.osti.gov/servlets/purl/1280697. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280697,
title = {Materials Data on PBr7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PBr7 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four PBr7 ribbons oriented in the (1, 0, 0) direction. P is bonded in a tetrahedral geometry to four Br atoms. There are two shorter (2.19 Å) and two longer (2.20 Å) P–Br bond lengths. There are six inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two Br atoms. There are one shorter (2.42 Å) and one longer (2.86 Å) Br–Br bond lengths. In the second Br site, Br is bonded in a single-bond geometry to one Br atom. In the third Br site, Br is bonded in a single-bond geometry to one P atom. In the fourth Br site, Br is bonded in a single-bond geometry to one P and one Br atom. The Br–Br bond length is 3.10 Å. In the fifth Br site, Br is bonded in a distorted trigonal non-coplanar geometry to three Br atoms. In the sixth Br site, Br is bonded in a single-bond geometry to one P atom.},
doi = {10.17188/1280697},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: