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

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

Abstract

Cd(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one CdBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–Br bond distances ranging from 2.64–2.66 Å. Cd2+ is bonded to six equivalent Br1- atoms to form CdBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Cd–Br bond lengths are 2.86 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one W2+ and one Cd2+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-29052
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cd(W3Br7)2; Br-Cd-W
OSTI Identifier:
1203128
DOI:
https://doi.org/10.17188/1203128

Citation Formats

The Materials Project. Materials Data on Cd(W3Br7)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203128.
The Materials Project. Materials Data on Cd(W3Br7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203128
The Materials Project. 2020. "Materials Data on Cd(W3Br7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203128. https://www.osti.gov/servlets/purl/1203128. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1203128,
title = {Materials Data on Cd(W3Br7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one CdBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–Br bond distances ranging from 2.64–2.66 Å. Cd2+ is bonded to six equivalent Br1- atoms to form CdBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Cd–Br bond lengths are 2.86 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one W2+ and one Cd2+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.},
doi = {10.17188/1203128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}