Materials Data on Mg(ScSe2)2 by Materials Project
Abstract
Mg(ScSe2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent ScSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mg–Se bond lengths are 2.58 Å. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent ScSe6 octahedra. All Sc–Se bond lengths are 2.72 Å. Se2- is bonded to one Mg2+ and three equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing SeMgSc3 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1001019
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mg(ScSe2)2; Mg-Sc-Se
- OSTI Identifier:
- 1271390
- DOI:
- https://doi.org/10.17188/1271390
Citation Formats
The Materials Project. Materials Data on Mg(ScSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271390.
The Materials Project. Materials Data on Mg(ScSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271390
The Materials Project. 2020.
"Materials Data on Mg(ScSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271390. https://www.osti.gov/servlets/purl/1271390. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1271390,
title = {Materials Data on Mg(ScSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(ScSe2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent ScSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mg–Se bond lengths are 2.58 Å. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent ScSe6 octahedra. All Sc–Se bond lengths are 2.72 Å. Se2- is bonded to one Mg2+ and three equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing SeMgSc3 trigonal pyramids.},
doi = {10.17188/1271390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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