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Title: Materials Data on Sr4I6O by Materials Project

Abstract

Sr4OI6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to one O2- and seven I1- atoms. The Sr–O bond length is 2.45 Å. There are a spread of Sr–I bond distances ranging from 3.34–3.63 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to one O2- and six I1- atoms. The Sr–O bond length is 2.41 Å. There are three shorter (3.47 Å) and three longer (3.63 Å) Sr–I bond lengths. O2- is bonded in a tetrahedral geometry to four Sr2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to five Sr2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Sr2+ atoms.

Publication Date:
Other Number(s):
mp-29910
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; Sr4I6O; I-O-Sr
OSTI Identifier:
1204340
DOI:
https://doi.org/10.17188/1204340

Citation Formats

The Materials Project. Materials Data on Sr4I6O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204340.
The Materials Project. Materials Data on Sr4I6O by Materials Project. United States. doi:https://doi.org/10.17188/1204340
The Materials Project. 2020. "Materials Data on Sr4I6O by Materials Project". United States. doi:https://doi.org/10.17188/1204340. https://www.osti.gov/servlets/purl/1204340. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204340,
title = {Materials Data on Sr4I6O by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4OI6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to one O2- and seven I1- atoms. The Sr–O bond length is 2.45 Å. There are a spread of Sr–I bond distances ranging from 3.34–3.63 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to one O2- and six I1- atoms. The Sr–O bond length is 2.41 Å. There are three shorter (3.47 Å) and three longer (3.63 Å) Sr–I bond lengths. O2- is bonded in a tetrahedral geometry to four Sr2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to five Sr2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Sr2+ atoms.},
doi = {10.17188/1204340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}