U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaMg6Sb by Materials Project
Abstract
BaMg6Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded to ten Mg and two equivalent Sb atoms to form a mixture of corner and face-sharing BaMg10Sb2 cuboctahedra. There are a spread of Ba–Mg bond distances ranging from 3.52–3.60 Å. Both Ba–Sb bond lengths are 3.41 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba, three Mg, and two equivalent Sb atoms. There are two shorter (3.33 Å) and one longer (3.38 Å) Mg–Mg bond lengths. Both Mg–Sb bond lengths are 3.21 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Ba and eight Mg atoms. There are four shorter (3.17 Å) and two longer (3.31 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Ba, two equivalent Mg, and one Sb atom. The Mg–Sb bond length is 3.01 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg atoms. Sb is bonded in a 8-coordinate geometry to two equivalent Ba and six Mg atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1016609
- 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; BaMg6Sb; Ba-Mg-Sb
- OSTI Identifier:
- 1676283
- DOI:
- https://doi.org/10.17188/1676283
Citation Formats
The Materials Project. Materials Data on BaMg6Sb by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1676283.
The Materials Project. Materials Data on BaMg6Sb by Materials Project. United States. doi:https://doi.org/10.17188/1676283
The Materials Project. 2017.
"Materials Data on BaMg6Sb by Materials Project". United States. doi:https://doi.org/10.17188/1676283. https://www.osti.gov/servlets/purl/1676283. Pub date:Sat Apr 01 00:00:00 EDT 2017
@article{osti_1676283,
title = {Materials Data on BaMg6Sb by Materials Project},
author = {The Materials Project},
abstractNote = {BaMg6Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded to ten Mg and two equivalent Sb atoms to form a mixture of corner and face-sharing BaMg10Sb2 cuboctahedra. There are a spread of Ba–Mg bond distances ranging from 3.52–3.60 Å. Both Ba–Sb bond lengths are 3.41 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ba, three Mg, and two equivalent Sb atoms. There are two shorter (3.33 Å) and one longer (3.38 Å) Mg–Mg bond lengths. Both Mg–Sb bond lengths are 3.21 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Ba and eight Mg atoms. There are four shorter (3.17 Å) and two longer (3.31 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Ba, two equivalent Mg, and one Sb atom. The Mg–Sb bond length is 3.01 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg atoms. Sb is bonded in a 8-coordinate geometry to two equivalent Ba and six Mg atoms.},
doi = {10.17188/1676283},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}