U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuMgSe3 by Materials Project
Abstract
MgLuSe3 is Sylvanite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six Se+1.67- atoms to form distorted edge-sharing MgSe6 octahedra. There are four shorter (2.64 Å) and two longer (3.27 Å) Mg–Se bond lengths. Lu3+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of Lu–Se bond distances ranging from 2.68–3.12 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and two equivalent Lu3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Lu3+ atoms to form edge-sharing SeLu2Mg2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1232147
- 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; Lu-Mg-Se; LuMgSe3; crystal structure
- OSTI Identifier:
- 1705937
- DOI:
- https://doi.org/10.17188/1705937
Citation Formats
Materials Data on LuMgSe3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1705937.
Materials Data on LuMgSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1705937
2019.
"Materials Data on LuMgSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1705937. https://www.osti.gov/servlets/purl/1705937. Pub date:Tue Jan 15 23:00:00 EST 2019
@article{osti_1705937,
title = {Materials Data on LuMgSe3 by Materials Project},
abstractNote = {MgLuSe3 is Sylvanite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six Se+1.67- atoms to form distorted edge-sharing MgSe6 octahedra. There are four shorter (2.64 Å) and two longer (3.27 Å) Mg–Se bond lengths. Lu3+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of Lu–Se bond distances ranging from 2.68–3.12 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and two equivalent Lu3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Lu3+ atoms to form edge-sharing SeLu2Mg2 trigonal pyramids.},
doi = {10.17188/1705937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}