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Title: Materials Data on YbSmSe3 by Materials Project

Abstract

SmYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two shorter (2.82 Å) and four longer (2.98 Å) Yb–Se bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.40 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Sm3+ atoms to form corner-sharing SeYb2Sm2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Sm3+ atoms.

Publication Date:
Other Number(s):
mp-11788
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; YbSmSe3; Se-Sm-Yb
OSTI Identifier:
1188377
DOI:
10.17188/1188377

Citation Formats

The Materials Project. Materials Data on YbSmSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188377.
The Materials Project. Materials Data on YbSmSe3 by Materials Project. United States. doi:10.17188/1188377.
The Materials Project. 2020. "Materials Data on YbSmSe3 by Materials Project". United States. doi:10.17188/1188377. https://www.osti.gov/servlets/purl/1188377. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188377,
title = {Materials Data on YbSmSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two shorter (2.82 Å) and four longer (2.98 Å) Yb–Se bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.40 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Sm3+ atoms to form corner-sharing SeYb2Sm2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Sm3+ atoms.},
doi = {10.17188/1188377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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