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Title: Materials Data on SrI2O7 by Materials Project

Abstract

SrO7I2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.15 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Sr and one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a single-bond geometry to one Sr atom. I is bonded in a 3-coordinate geometry to three O atoms.

Publication Date:
Other Number(s):
mp-1189936
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; SrI2O7; I-O-Sr
OSTI Identifier:
1655341
DOI:
https://doi.org/10.17188/1655341

Citation Formats

The Materials Project. Materials Data on SrI2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655341.
The Materials Project. Materials Data on SrI2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1655341
The Materials Project. 2020. "Materials Data on SrI2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1655341. https://www.osti.gov/servlets/purl/1655341. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1655341,
title = {Materials Data on SrI2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SrO7I2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.15 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Sr and one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Sr and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a single-bond geometry to one Sr atom. I is bonded in a 3-coordinate geometry to three O atoms.},
doi = {10.17188/1655341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}