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

Title: Materials Data on SbSe5F6 by Materials Project

Abstract

SbF6(Se)5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eighty selenium molecules and sixteen SbF6 clusters. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Sb–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

Publication Date:
Other Number(s):
mp-1205478
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; SbSe5F6; F-Sb-Se
OSTI Identifier:
1656006
DOI:
https://doi.org/10.17188/1656006

Citation Formats

The Materials Project. Materials Data on SbSe5F6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656006.
The Materials Project. Materials Data on SbSe5F6 by Materials Project. United States. doi:https://doi.org/10.17188/1656006
The Materials Project. 2019. "Materials Data on SbSe5F6 by Materials Project". United States. doi:https://doi.org/10.17188/1656006. https://www.osti.gov/servlets/purl/1656006. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1656006,
title = {Materials Data on SbSe5F6 by Materials Project},
author = {The Materials Project},
abstractNote = {SbF6(Se)5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eighty selenium molecules and sixteen SbF6 clusters. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Sb–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1656006},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}