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Title: Materials Data on SrI2 by Materials Project

Abstract

SrI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven I1- atoms to form a mixture of distorted corner and edge-sharing SrI7 pentagonal bipyramids. There are a spread of Sr–I bond distances ranging from 3.33–3.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing ISr4 trigonal pyramids. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to three equivalent Sr2+ atoms.

Publication Date:
Other Number(s):
mp-568284
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; SrI2; I-Sr
OSTI Identifier:
1274342
DOI:
10.17188/1274342

Citation Formats

The Materials Project. Materials Data on SrI2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274342.
The Materials Project. Materials Data on SrI2 by Materials Project. United States. doi:10.17188/1274342.
The Materials Project. 2020. "Materials Data on SrI2 by Materials Project". United States. doi:10.17188/1274342. https://www.osti.gov/servlets/purl/1274342. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1274342,
title = {Materials Data on SrI2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven I1- atoms to form a mixture of distorted corner and edge-sharing SrI7 pentagonal bipyramids. There are a spread of Sr–I bond distances ranging from 3.33–3.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing ISr4 trigonal pyramids. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to three equivalent Sr2+ atoms.},
doi = {10.17188/1274342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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