U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMgSe3 by Materials Project
Abstract
MgYSe3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se+1.67- atoms to form MgSe6 octahedra that share corners with nine equivalent YSe6 octahedra, edges with three equivalent MgSe6 octahedra, and a faceface with one YSe6 octahedra. The corner-sharing octahedra tilt angles range from 40–56°. There are three shorter (2.70 Å) and three longer (2.77 Å) Mg–Se bond lengths. Y3+ is bonded to six equivalent Se+1.67- atoms to form YSe6 octahedra that share corners with nine equivalent MgSe6 octahedra, edges with three equivalent YSe6 octahedra, and a faceface with one MgSe6 octahedra. The corner-sharing octahedra tilt angles range from 40–56°. There are three shorter (2.84 Å) and three longer (2.87 Å) Y–Se bond lengths. Se+1.67- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Y3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1232338
- 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; Mg-Se-Y; YMgSe3; crystal structure
- OSTI Identifier:
- 1713423
- DOI:
- https://doi.org/10.17188/1713423
Citation Formats
Materials Data on YMgSe3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1713423.
Materials Data on YMgSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1713423
2019.
"Materials Data on YMgSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1713423. https://www.osti.gov/servlets/purl/1713423. Pub date:Tue Jan 15 23:00:00 EST 2019
@article{osti_1713423,
title = {Materials Data on YMgSe3 by Materials Project},
abstractNote = {MgYSe3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se+1.67- atoms to form MgSe6 octahedra that share corners with nine equivalent YSe6 octahedra, edges with three equivalent MgSe6 octahedra, and a faceface with one YSe6 octahedra. The corner-sharing octahedra tilt angles range from 40–56°. There are three shorter (2.70 Å) and three longer (2.77 Å) Mg–Se bond lengths. Y3+ is bonded to six equivalent Se+1.67- atoms to form YSe6 octahedra that share corners with nine equivalent MgSe6 octahedra, edges with three equivalent YSe6 octahedra, and a faceface with one MgSe6 octahedra. The corner-sharing octahedra tilt angles range from 40–56°. There are three shorter (2.84 Å) and three longer (2.87 Å) Y–Se bond lengths. Se+1.67- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Y3+ atoms.},
doi = {10.17188/1713423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}