U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg(AlB14)2 by Materials Project
Abstract
Mg(AlB14)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to fourteen B atoms. There are a spread of Mg–B bond distances ranging from 2.30–2.78 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted cuboctahedral geometry to twelve B atoms. There are a spread of Al–B bond distances ranging from 2.04–2.41 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Al–B bond distances ranging from 2.13–2.74 Å. There are fourteen inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to one Al and six B atoms. There are a spread of B–B bond distances ranging from 1.77–1.82 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Al and six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.82 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.69–1.81 Å. In the fourth B site, Bmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222257
- 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(AlB14)2; Al-B-Mg
- OSTI Identifier:
- 1749301
- DOI:
- https://doi.org/10.17188/1749301
Citation Formats
The Materials Project. Materials Data on Mg(AlB14)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749301.
The Materials Project. Materials Data on Mg(AlB14)2 by Materials Project. United States. doi:https://doi.org/10.17188/1749301
The Materials Project. 2020.
"Materials Data on Mg(AlB14)2 by Materials Project". United States. doi:https://doi.org/10.17188/1749301. https://www.osti.gov/servlets/purl/1749301. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749301,
title = {Materials Data on Mg(AlB14)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(AlB14)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to fourteen B atoms. There are a spread of Mg–B bond distances ranging from 2.30–2.78 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted cuboctahedral geometry to twelve B atoms. There are a spread of Al–B bond distances ranging from 2.04–2.41 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Al–B bond distances ranging from 2.13–2.74 Å. There are fourteen inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to one Al and six B atoms. There are a spread of B–B bond distances ranging from 1.77–1.82 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Al and six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.82 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.69–1.81 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.71–1.80 Å. In the fifth B site, B is bonded in a 8-coordinate geometry to one Mg, one Al, and six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.82 Å. In the sixth B site, B is bonded in a 7-coordinate geometry to one Al and six B atoms. There are a spread of B–B bond distances ranging from 1.73–1.85 Å. In the seventh B site, B is bonded in a 8-coordinate geometry to two Al and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the eighth B site, B is bonded in a 7-coordinate geometry to one Mg and six B atoms. There are a spread of B–B bond distances ranging from 1.72–1.84 Å. In the ninth B site, B is bonded in a 8-coordinate geometry to one Mg, one Al, and six B atoms. There is one shorter (1.77 Å) and one longer (1.82 Å) B–B bond length. In the tenth B site, B is bonded in a 7-coordinate geometry to one Mg and six B atoms. There is one shorter (1.78 Å) and one longer (1.85 Å) B–B bond length. In the eleventh B site, B is bonded in a 7-coordinate geometry to one Mg and six B atoms. In the twelfth B site, B is bonded in a 8-coordinate geometry to one Mg, one Al, and six B atoms. In the thirteenth B site, B is bonded in a 6-coordinate geometry to two Al and four B atoms. The B–B bond length is 2.01 Å. In the fourteenth B site, B is bonded in a 6-coordinate geometry to one Mg, one Al, and four B atoms. The B–B bond length is 1.98 Å.},
doi = {10.17188/1749301},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}