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Title: Materials Data on AgPb2Br5 by Materials Project

Abstract

AgPb2Br5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ag1+ is bonded to six Br1- atoms to form corner-sharing AgBr6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ag–Br bond distances ranging from 2.83–2.93 Å. Pb2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.99–3.54 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Pb2+ atoms to form distorted edge-sharing BrPb4 trigonal pyramids. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to one Ag1+ and three equivalent Pb2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-621612
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; AgPb2Br5; Ag-Br-Pb
OSTI Identifier:
1278051
DOI:
10.17188/1278051

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgPb2Br5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1278051.
Persson, Kristin, & Project, Materials. Materials Data on AgPb2Br5 by Materials Project. United States. doi:10.17188/1278051.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on AgPb2Br5 by Materials Project". United States. doi:10.17188/1278051. https://www.osti.gov/servlets/purl/1278051. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1278051,
title = {Materials Data on AgPb2Br5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgPb2Br5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ag1+ is bonded to six Br1- atoms to form corner-sharing AgBr6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ag–Br bond distances ranging from 2.83–2.93 Å. Pb2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Pb–Br bond distances ranging from 2.99–3.54 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Pb2+ atoms to form distorted edge-sharing BrPb4 trigonal pyramids. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to one Ag1+ and three equivalent Pb2+ atoms.},
doi = {10.17188/1278051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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