Materials Data on Ba(MgSb)2 by Materials Project
Abstract
Ba(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form BaSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent BaSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Ba–Sb bond lengths are 3.55 Å. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent BaSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent BaSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.92 Å) and one longer (2.93 Å) Mg–Sb bond lengths. Sb3- is bonded to three equivalent Ba2+ and four equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing SbBa3Mg4 pentagonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-9567
- 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; Ba(MgSb)2; Ba-Mg-Sb
- OSTI Identifier:
- 1313337
- DOI:
- https://doi.org/10.17188/1313337
Citation Formats
The Materials Project. Materials Data on Ba(MgSb)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313337.
The Materials Project. Materials Data on Ba(MgSb)2 by Materials Project. United States. doi:https://doi.org/10.17188/1313337
The Materials Project. 2020.
"Materials Data on Ba(MgSb)2 by Materials Project". United States. doi:https://doi.org/10.17188/1313337. https://www.osti.gov/servlets/purl/1313337. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313337,
title = {Materials Data on Ba(MgSb)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form BaSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent BaSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Ba–Sb bond lengths are 3.55 Å. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent BaSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent BaSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.92 Å) and one longer (2.93 Å) Mg–Sb bond lengths. Sb3- is bonded to three equivalent Ba2+ and four equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing SbBa3Mg4 pentagonal bipyramids.},
doi = {10.17188/1313337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}