U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbMg6Cu by Materials Project
Abstract
RbMg6Cu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to twelve Mg and two equivalent Cu atoms. There are a spread of Rb–Mg bond distances ranging from 3.44–4.18 Å. Both Rb–Cu bond lengths are 3.67 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, two equivalent Mg, and one Cu atom. Both Mg–Mg bond lengths are 3.06 Å. The Mg–Cu bond length is 2.74 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to four equivalent Rb, four equivalent Mg, and two equivalent Cu atoms. All Mg–Mg bond lengths are 3.24 Å. Both Mg–Cu bond lengths are 3.41 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one Rb, two equivalent Mg, and two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.78 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Cu is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms.
- Publication Date:
- Other Number(s):
- mp-1022140
- 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; Cu-Mg-Rb; RbMg6Cu; crystal structure
- OSTI Identifier:
- 1728775
- DOI:
- https://doi.org/10.17188/1728775
Citation Formats
Materials Data on RbMg6Cu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1728775.
Materials Data on RbMg6Cu by Materials Project. United States. doi:https://doi.org/10.17188/1728775
2020.
"Materials Data on RbMg6Cu by Materials Project". United States. doi:https://doi.org/10.17188/1728775. https://www.osti.gov/servlets/purl/1728775. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1728775,
title = {Materials Data on RbMg6Cu by Materials Project},
abstractNote = {RbMg6Cu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to twelve Mg and two equivalent Cu atoms. There are a spread of Rb–Mg bond distances ranging from 3.44–4.18 Å. Both Rb–Cu bond lengths are 3.67 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, two equivalent Mg, and one Cu atom. Both Mg–Mg bond lengths are 3.06 Å. The Mg–Cu bond length is 2.74 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to four equivalent Rb, four equivalent Mg, and two equivalent Cu atoms. All Mg–Mg bond lengths are 3.24 Å. Both Mg–Cu bond lengths are 3.41 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one Rb, two equivalent Mg, and two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.78 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Cu is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms.},
doi = {10.17188/1728775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}