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Title: Materials Data on Sb(IF3)2 by Materials Project

Abstract

SbIF6I is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two SbIF6 clusters. In each SbIF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. I is bonded in a 1-coordinate geometry to one F atom. The I–F bond length is 2.67 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 and one I atom.

Publication Date:
Other Number(s):
mp-28431
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; Sb(IF3)2; F-I-Sb
OSTI Identifier:
1202543
DOI:
https://doi.org/10.17188/1202543

Citation Formats

The Materials Project. Materials Data on Sb(IF3)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1202543.
The Materials Project. Materials Data on Sb(IF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202543
The Materials Project. 2017. "Materials Data on Sb(IF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202543. https://www.osti.gov/servlets/purl/1202543. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1202543,
title = {Materials Data on Sb(IF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SbIF6I is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two SbIF6 clusters. In each SbIF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. I is bonded in a 1-coordinate geometry to one F atom. The I–F bond length is 2.67 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 and one I atom.},
doi = {10.17188/1202543},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}