U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgInSe3 by Materials Project
Abstract
MgInSe3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgInSe3 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six Se+1.67- atoms to form edge-sharing MgSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.69–2.79 Å. In3+ is bonded in a trigonal planar geometry to three Se+1.67- atoms. There are one shorter (2.56 Å) and two longer (2.57 Å) In–Se bond lengths. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a distorted T-shaped geometry to two equivalent Mg2+ and one In3+ atom. In the second Se+1.67- site, Se+1.67- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg2+ and one In3+ atom.
- Publication Date:
- Other Number(s):
- mp-1232193
- 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; In-Mg-Se; MgInSe3; crystal structure
- OSTI Identifier:
- 1722097
- DOI:
- https://doi.org/10.17188/1722097
Citation Formats
Materials Data on MgInSe3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1722097.
Materials Data on MgInSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1722097
2019.
"Materials Data on MgInSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1722097. https://www.osti.gov/servlets/purl/1722097. Pub date:Tue Jan 15 23:00:00 EST 2019
@article{osti_1722097,
title = {Materials Data on MgInSe3 by Materials Project},
abstractNote = {MgInSe3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgInSe3 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six Se+1.67- atoms to form edge-sharing MgSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.69–2.79 Å. In3+ is bonded in a trigonal planar geometry to three Se+1.67- atoms. There are one shorter (2.56 Å) and two longer (2.57 Å) In–Se bond lengths. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a distorted T-shaped geometry to two equivalent Mg2+ and one In3+ atom. In the second Se+1.67- site, Se+1.67- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg2+ and one In3+ atom.},
doi = {10.17188/1722097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}