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Title: Materials Data on SbKr3F11 by Materials Project

Abstract

Kr2F3KrF2SbF6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Kr2F3 clusters, two KrF2 clusters, and two SbF6 clusters. In each Kr2F3 cluster, there are two inequivalent Kr sites. In the first Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.09 Å) Kr–F bond length. In the second Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.08 Å) Kr–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Kr atom. In the second F site, F is bonded in a bent 150 degrees geometry to two Kr atoms. In the third F site, F is bonded in a single-bond geometry to one Kr atom. In each KrF2 cluster, Kr is bonded in a linear geometry to two equivalent F atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Kr–F bond length. F is bonded in a single-bond geometry to one Kr atom. In each SbF6 cluster, Sb is bonded inmore » an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.93 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom.« less

Publication Date:
Other Number(s):
mp-30013
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; SbKr3F11; F-Kr-Sb
OSTI Identifier:
1204449
DOI:
https://doi.org/10.17188/1204449

Citation Formats

The Materials Project. Materials Data on SbKr3F11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204449.
The Materials Project. Materials Data on SbKr3F11 by Materials Project. United States. doi:https://doi.org/10.17188/1204449
The Materials Project. 2020. "Materials Data on SbKr3F11 by Materials Project". United States. doi:https://doi.org/10.17188/1204449. https://www.osti.gov/servlets/purl/1204449. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204449,
title = {Materials Data on SbKr3F11 by Materials Project},
author = {The Materials Project},
abstractNote = {Kr2F3KrF2SbF6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Kr2F3 clusters, two KrF2 clusters, and two SbF6 clusters. In each Kr2F3 cluster, there are two inequivalent Kr sites. In the first Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.09 Å) Kr–F bond length. In the second Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.08 Å) Kr–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Kr atom. In the second F site, F is bonded in a bent 150 degrees geometry to two Kr atoms. In the third F site, F is bonded in a single-bond geometry to one Kr atom. In each KrF2 cluster, Kr is bonded in a linear geometry to two equivalent F atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Kr–F bond length. F is bonded in a single-bond geometry to one Kr atom. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.93 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1204449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}