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Title: Materials Data on Sm4Br6O by Materials Project

Abstract

Sm4OBr6 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 Br1- atoms. The Sm–O bond length is 2.24 Å. There are a spread of Sm–Br bond distances ranging from 3.01–3.49 Å. In the second Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and six Br1- atoms. The Sm–O bond length is 2.39 Å. There are three shorter (3.16 Å) and three longer (3.25 Å) Sm–Br bond lengths. O2- is bonded in a trigonal pyramidal geometry to four Sm2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to five Sm2+ atoms.

Publication Date:
Other Number(s):
mp-554768
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; Sm4Br6O; Br-O-Sm
OSTI Identifier:
1268092
DOI:
10.17188/1268092

Citation Formats

The Materials Project. Materials Data on Sm4Br6O by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1268092.
The Materials Project. Materials Data on Sm4Br6O by Materials Project. United States. doi:10.17188/1268092.
The Materials Project. 2017. "Materials Data on Sm4Br6O by Materials Project". United States. doi:10.17188/1268092. https://www.osti.gov/servlets/purl/1268092. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1268092,
title = {Materials Data on Sm4Br6O by Materials Project},
author = {The Materials Project},
abstractNote = {Sm4OBr6 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 Br1- atoms. The Sm–O bond length is 2.24 Å. There are a spread of Sm–Br bond distances ranging from 3.01–3.49 Å. In the second Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and six Br1- atoms. The Sm–O bond length is 2.39 Å. There are three shorter (3.16 Å) and three longer (3.25 Å) Sm–Br bond lengths. O2- is bonded in a trigonal pyramidal geometry to four Sm2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to five Sm2+ atoms.},
doi = {10.17188/1268092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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