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Title: Materials Data on SmSe2 by Materials Project

Abstract

SmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Sm–Se bond distances ranging from 3.02–3.12 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.92 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1019253
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; SmSe2; Se-Sm
OSTI Identifier:
1350585
DOI:
10.17188/1350585

Citation Formats

The Materials Project. Materials Data on SmSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350585.
The Materials Project. Materials Data on SmSe2 by Materials Project. United States. doi:10.17188/1350585.
The Materials Project. 2020. "Materials Data on SmSe2 by Materials Project". United States. doi:10.17188/1350585. https://www.osti.gov/servlets/purl/1350585. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1350585,
title = {Materials Data on SmSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Sm–Se bond distances ranging from 3.02–3.12 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.92 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids.},
doi = {10.17188/1350585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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