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Title: Materials Data on DyMgSe3 by Materials Project

Abstract

MgDySe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six Se+1.67- atoms to form MgSe6 octahedra that share corners with eight equivalent DySe4 tetrahedra and edges with three equivalent MgSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.68–2.93 Å. Dy3+ is bonded to four Se+1.67- atoms to form DySe4 tetrahedra that share corners with eight equivalent MgSe6 octahedra and an edgeedge with one DySe4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–74°. There are a spread of Dy–Se bond distances ranging from 2.72–2.74 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Dy3+ atom. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Dy3+ atoms to form edge-sharing SeDy2Mg2 tetrahedra.

Publication Date:
Other Number(s):
mp-1232192
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; DyMgSe3; Dy-Mg-Se
OSTI Identifier:
1676927
DOI:
https://doi.org/10.17188/1676927

Citation Formats

The Materials Project. Materials Data on DyMgSe3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676927.
The Materials Project. Materials Data on DyMgSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1676927
The Materials Project. 2019. "Materials Data on DyMgSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1676927. https://www.osti.gov/servlets/purl/1676927. Pub date:Wed Jan 16 00:00:00 EST 2019
@article{osti_1676927,
title = {Materials Data on DyMgSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgDySe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six Se+1.67- atoms to form MgSe6 octahedra that share corners with eight equivalent DySe4 tetrahedra and edges with three equivalent MgSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.68–2.93 Å. Dy3+ is bonded to four Se+1.67- atoms to form DySe4 tetrahedra that share corners with eight equivalent MgSe6 octahedra and an edgeedge with one DySe4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–74°. There are a spread of Dy–Se bond distances ranging from 2.72–2.74 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Dy3+ atom. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Dy3+ atoms to form edge-sharing SeDy2Mg2 tetrahedra.},
doi = {10.17188/1676927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}