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Title: Materials Data on Cd4SF6 by Materials Project

Abstract

Cd4SF6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Cd2+ is bonded to one S2- and six F1- atoms to form a mixture of distorted edge and corner-sharing CdSF6 pentagonal bipyramids. The Cd–S bond length is 2.48 Å. There are a spread of Cd–F bond distances ranging from 2.31–2.64 Å. S2- is bonded to four equivalent Cd2+ atoms to form SCd4 tetrahedra that share corners with eight equivalent FCd4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Cd2+ atoms. In the second F1- site, F1- is bonded to four equivalent Cd2+ atoms to form FCd4 tetrahedra that share corners with four equivalent SCd4 tetrahedra and edges with two equivalent FCd4 tetrahedra.

Publication Date:
Other Number(s):
mp-1013726
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; Cd4SF6; Cd-F-S
OSTI Identifier:
1330157
DOI:
10.17188/1330157

Citation Formats

The Materials Project. Materials Data on Cd4SF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330157.
The Materials Project. Materials Data on Cd4SF6 by Materials Project. United States. doi:10.17188/1330157.
The Materials Project. 2020. "Materials Data on Cd4SF6 by Materials Project". United States. doi:10.17188/1330157. https://www.osti.gov/servlets/purl/1330157. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1330157,
title = {Materials Data on Cd4SF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd4SF6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Cd2+ is bonded to one S2- and six F1- atoms to form a mixture of distorted edge and corner-sharing CdSF6 pentagonal bipyramids. The Cd–S bond length is 2.48 Å. There are a spread of Cd–F bond distances ranging from 2.31–2.64 Å. S2- is bonded to four equivalent Cd2+ atoms to form SCd4 tetrahedra that share corners with eight equivalent FCd4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Cd2+ atoms. In the second F1- site, F1- is bonded to four equivalent Cd2+ atoms to form FCd4 tetrahedra that share corners with four equivalent SCd4 tetrahedra and edges with two equivalent FCd4 tetrahedra.},
doi = {10.17188/1330157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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