U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg4B3Ir2 by Materials Project
Abstract
Mg4Ir2B3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Ir and four B atoms. There are a spread of Mg–Ir bond distances ranging from 2.73–2.98 Å. There are a spread of Mg–B bond distances ranging from 2.47–2.88 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three B atoms. There are a spread of Mg–B bond distances ranging from 2.37–2.49 Å. Ir is bonded in a 3-coordinate geometry to four equivalent Mg and three B atoms. There are a spread of Ir–B bond distances ranging from 2.00–2.17 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to six Mg, two equivalent Ir, and one B atom. The B–B bond length is 1.69 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Mg, two equivalent Ir, and one B atom. In the third B site, B is bonded in a square co-planar geometry to two equivalent Mg and two equivalent Ir atoms.
- Publication Date:
- Other Number(s):
- mp-1222183
- 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; B-Ir-Mg; crystal structure; Mg4B3Ir2
- OSTI Identifier:
- 1711902
- DOI:
- https://doi.org/10.17188/1711902
Citation Formats
Materials Data on Mg4B3Ir2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711902.
Materials Data on Mg4B3Ir2 by Materials Project. United States. doi:https://doi.org/10.17188/1711902
2020.
"Materials Data on Mg4B3Ir2 by Materials Project". United States. doi:https://doi.org/10.17188/1711902. https://www.osti.gov/servlets/purl/1711902. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1711902,
title = {Materials Data on Mg4B3Ir2 by Materials Project},
abstractNote = {Mg4Ir2B3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Ir and four B atoms. There are a spread of Mg–Ir bond distances ranging from 2.73–2.98 Å. There are a spread of Mg–B bond distances ranging from 2.47–2.88 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three B atoms. There are a spread of Mg–B bond distances ranging from 2.37–2.49 Å. Ir is bonded in a 3-coordinate geometry to four equivalent Mg and three B atoms. There are a spread of Ir–B bond distances ranging from 2.00–2.17 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to six Mg, two equivalent Ir, and one B atom. The B–B bond length is 1.69 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Mg, two equivalent Ir, and one B atom. In the third B site, B is bonded in a square co-planar geometry to two equivalent Mg and two equivalent Ir atoms.},
doi = {10.17188/1711902},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}