skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrH2I2O by Materials Project

Abstract

SrH2OI2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven I1- atoms. Both Sr–O bond lengths are 2.72 Å. There are a spread of Sr–I bond distances ranging from 3.43–3.82 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Sr2+, two H1+, and one I1- atom. The O–I bond length is 3.51 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to three equivalent Sr2+ and one O2- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-703295
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; SrH2I2O; H-I-O-Sr
OSTI Identifier:
1285605
DOI:
10.17188/1285605

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrH2I2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285605.
Persson, Kristin, & Project, Materials. Materials Data on SrH2I2O by Materials Project. United States. doi:10.17188/1285605.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrH2I2O by Materials Project". United States. doi:10.17188/1285605. https://www.osti.gov/servlets/purl/1285605. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1285605,
title = {Materials Data on SrH2I2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrH2OI2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven I1- atoms. Both Sr–O bond lengths are 2.72 Å. There are a spread of Sr–I bond distances ranging from 3.43–3.82 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Sr2+, two H1+, and one I1- atom. The O–I bond length is 3.51 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to three equivalent Sr2+ and one O2- atom.},
doi = {10.17188/1285605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: