U.S. Department of EnergyOffice of Scientific and Technical Information
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;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Dy-Mg-Se; DyMgSe3
- OSTI Identifier:
- 1676927
- DOI:
- https://doi.org/10.17188/1676927
Citation Formats
Materials Data on DyMgSe3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676927.
Materials Data on DyMgSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1676927
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:Tue Jan 15 19:00:00 EST 2019
@article{osti_1676927,
title = {Materials Data on DyMgSe3 by 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}
}