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Title: Materials Data on Sm2IO2 by Materials Project

Abstract

Sm2O2I crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a 3-coordinate geometry to three O2- and three equivalent I1- atoms. There are one shorter (2.23 Å) and two longer (2.28 Å) Sm–O bond lengths. There are one shorter (3.38 Å) and two longer (3.55 Å) Sm–I bond lengths. In the second Sm+2.50+ site, Sm+2.50+ is bonded in a 5-coordinate geometry to five O2- and two equivalent I1- atoms. There are a spread of Sm–O bond distances ranging from 2.35–2.42 Å. Both Sm–I bond lengths are 3.43 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm+2.50+ atoms to form a mixture of distorted edge and corner-sharing OSm4 trigonal pyramids. In the second O2- site, O2- is bonded to four Sm+2.50+ atoms to form a mixture of distorted edge and corner-sharing OSm4 tetrahedra. I1- is bonded in a 5-coordinate geometry to five Sm+2.50+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-553121
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; Sm2IO2; I-O-Sm
OSTI Identifier:
1267603
DOI:
10.17188/1267603

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sm2IO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267603.
Persson, Kristin, & Project, Materials. Materials Data on Sm2IO2 by Materials Project. United States. doi:10.17188/1267603.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sm2IO2 by Materials Project". United States. doi:10.17188/1267603. https://www.osti.gov/servlets/purl/1267603. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267603,
title = {Materials Data on Sm2IO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sm2O2I crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a 3-coordinate geometry to three O2- and three equivalent I1- atoms. There are one shorter (2.23 Å) and two longer (2.28 Å) Sm–O bond lengths. There are one shorter (3.38 Å) and two longer (3.55 Å) Sm–I bond lengths. In the second Sm+2.50+ site, Sm+2.50+ is bonded in a 5-coordinate geometry to five O2- and two equivalent I1- atoms. There are a spread of Sm–O bond distances ranging from 2.35–2.42 Å. Both Sm–I bond lengths are 3.43 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm+2.50+ atoms to form a mixture of distorted edge and corner-sharing OSm4 trigonal pyramids. In the second O2- site, O2- is bonded to four Sm+2.50+ atoms to form a mixture of distorted edge and corner-sharing OSm4 tetrahedra. I1- is bonded in a 5-coordinate geometry to five Sm+2.50+ atoms.},
doi = {10.17188/1267603},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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