DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmMgSe3 by Materials Project

Abstract

MgSmSe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to four Se+1.67- atoms. There are two shorter (2.59 Å) and two longer (2.64 Å) Mg–Se bond lengths. Sm3+ is bonded to six Se+1.67- atoms to form a mixture of distorted edge and face-sharing SmSe6 pentagonal pyramids. There are a spread of Sm–Se bond distances ranging from 2.85–3.00 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Sm3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Sm3+ atoms to form distorted edge-sharing SeSm2Mg2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1232154
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; SmMgSe3; Mg-Se-Sm
OSTI Identifier:
1732015
DOI:
https://doi.org/10.17188/1732015

Citation Formats

The Materials Project. Materials Data on SmMgSe3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732015.
The Materials Project. Materials Data on SmMgSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1732015
The Materials Project. 2019. "Materials Data on SmMgSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1732015. https://www.osti.gov/servlets/purl/1732015. Pub date:Wed Jan 16 00:00:00 EST 2019
@article{osti_1732015,
title = {Materials Data on SmMgSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSmSe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to four Se+1.67- atoms. There are two shorter (2.59 Å) and two longer (2.64 Å) Mg–Se bond lengths. Sm3+ is bonded to six Se+1.67- atoms to form a mixture of distorted edge and face-sharing SmSe6 pentagonal pyramids. There are a spread of Sm–Se bond distances ranging from 2.85–3.00 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Sm3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Sm3+ atoms to form distorted edge-sharing SeSm2Mg2 trigonal pyramids.},
doi = {10.17188/1732015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}