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Title: Materials Data on Ag(W3Br7)2 by Materials Project

Abstract

Ag(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W+2.17+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one AgBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Br bond distances ranging from 2.61–2.66 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Ag–Br bond lengths are 2.91 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent W+2.17+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to one W+2.17+ and one Ag1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W+2.17+ atoms.

Publication Date:
Other Number(s):
mp-29717
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; Ag(W3Br7)2; Ag-Br-W
OSTI Identifier:
1204189
DOI:
https://doi.org/10.17188/1204189

Citation Formats

The Materials Project. Materials Data on Ag(W3Br7)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204189.
The Materials Project. Materials Data on Ag(W3Br7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204189
The Materials Project. 2020. "Materials Data on Ag(W3Br7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204189. https://www.osti.gov/servlets/purl/1204189. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204189,
title = {Materials Data on Ag(W3Br7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W+2.17+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one AgBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Br bond distances ranging from 2.61–2.66 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Ag–Br bond lengths are 2.91 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent W+2.17+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to one W+2.17+ and one Ag1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W+2.17+ atoms.},
doi = {10.17188/1204189},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}