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Title: Materials Data on Sm4I6O by Materials Project

Abstract

Sm4OI6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and seven I1- atoms. The Sm–O bond length is 2.26 Å. There are a spread of Sm–I bond distances ranging from 3.24–3.55 Å. In the second Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and nine I1- atoms. The Sm–O bond length is 2.41 Å. There are a spread of Sm–I bond distances ranging from 3.44–3.97 Å. O2- is bonded in a trigonal pyramidal geometry to four Sm2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six Sm2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Sm2+ atoms.

Publication Date:
Other Number(s):
mp-558423
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; Sm4I6O; I-O-Sm
OSTI Identifier:
1270330
DOI:
https://doi.org/10.17188/1270330

Citation Formats

The Materials Project. Materials Data on Sm4I6O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270330.
The Materials Project. Materials Data on Sm4I6O by Materials Project. United States. doi:https://doi.org/10.17188/1270330
The Materials Project. 2020. "Materials Data on Sm4I6O by Materials Project". United States. doi:https://doi.org/10.17188/1270330. https://www.osti.gov/servlets/purl/1270330. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1270330,
title = {Materials Data on Sm4I6O by Materials Project},
author = {The Materials Project},
abstractNote = {Sm4OI6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and seven I1- atoms. The Sm–O bond length is 2.26 Å. There are a spread of Sm–I bond distances ranging from 3.24–3.55 Å. In the second Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and nine I1- atoms. The Sm–O bond length is 2.41 Å. There are a spread of Sm–I bond distances ranging from 3.44–3.97 Å. O2- is bonded in a trigonal pyramidal geometry to four Sm2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six Sm2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Sm2+ atoms.},
doi = {10.17188/1270330},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}