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Title: Materials Data on SmGdSe2 by Materials Project

Abstract

GdSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent Se atoms to form GdSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Se bond lengths are 2.94 Å. Sm is bonded to six equivalent Se atoms to form SmSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Se bond lengths are 2.95 Å. Se is bonded to three equivalent Gd and three equivalent Sm atoms to form a mixture of edge and corner-sharing SeSm3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1218995
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SmGdSe2; Gd-Se-Sm
OSTI Identifier:
1692593
DOI:
https://doi.org/10.17188/1692593

Citation Formats

The Materials Project. Materials Data on SmGdSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1692593.
The Materials Project. Materials Data on SmGdSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1692593
The Materials Project. 2020. "Materials Data on SmGdSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1692593. https://www.osti.gov/servlets/purl/1692593. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1692593,
title = {Materials Data on SmGdSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent Se atoms to form GdSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Se bond lengths are 2.94 Å. Sm is bonded to six equivalent Se atoms to form SmSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Se bond lengths are 2.95 Å. Se is bonded to three equivalent Gd and three equivalent Sm atoms to form a mixture of edge and corner-sharing SeSm3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1692593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}