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Title: Materials Data on SbSe6IF6 by Materials Project

Abstract

(Se)4SbSe2IF6 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of eight selenium molecules and one SbSe2IF6 ribbon oriented in the (2, 0, 1) direction. In the SbSe2IF6 ribbon, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. Se+0.33+ is bonded in a single-bond geometry to one I1- atom. The Se–I bond length is 2.77 Å. I1- is bonded in a 6-coordinate geometry to two equivalent Se+0.33+ and four F1- atoms. There are two shorter (3.65 Å) and two longer (3.69 Å) I–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559000
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; SbSe6IF6; F-I-Sb-Se
OSTI Identifier:
1270601
DOI:
10.17188/1270601

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbSe6IF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270601.
Persson, Kristin, & Project, Materials. Materials Data on SbSe6IF6 by Materials Project. United States. doi:10.17188/1270601.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbSe6IF6 by Materials Project". United States. doi:10.17188/1270601. https://www.osti.gov/servlets/purl/1270601. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1270601,
title = {Materials Data on SbSe6IF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(Se)4SbSe2IF6 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of eight selenium molecules and one SbSe2IF6 ribbon oriented in the (2, 0, 1) direction. In the SbSe2IF6 ribbon, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. Se+0.33+ is bonded in a single-bond geometry to one I1- atom. The Se–I bond length is 2.77 Å. I1- is bonded in a 6-coordinate geometry to two equivalent Se+0.33+ and four F1- atoms. There are two shorter (3.65 Å) and two longer (3.69 Å) I–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1270601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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