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Title: Materials Data on YMgSe3 by Materials Project

Abstract

MgYSe3 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 (2.62 Å) and two longer (2.64 Å) Mg–Se bond lengths. Y3+ is bonded to six Se+1.67- atoms to form a mixture of distorted edge and face-sharing YSe6 pentagonal pyramids. There are a spread of Y–Se bond distances ranging from 2.77–2.99 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 Y3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Y3+ atoms to form edge-sharing SeY2Mg2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1232305
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; YMgSe3; Mg-Se-Y
OSTI Identifier:
1652237
DOI:
https://doi.org/10.17188/1652237

Citation Formats

The Materials Project. Materials Data on YMgSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652237.
The Materials Project. Materials Data on YMgSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1652237
The Materials Project. 2020. "Materials Data on YMgSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1652237. https://www.osti.gov/servlets/purl/1652237. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1652237,
title = {Materials Data on YMgSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgYSe3 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 (2.62 Å) and two longer (2.64 Å) Mg–Se bond lengths. Y3+ is bonded to six Se+1.67- atoms to form a mixture of distorted edge and face-sharing YSe6 pentagonal pyramids. There are a spread of Y–Se bond distances ranging from 2.77–2.99 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 Y3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Y3+ atoms to form edge-sharing SeY2Mg2 trigonal pyramids.},
doi = {10.17188/1652237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}