Materials Data on RbLiMg6 by Materials Project

Dataset · Thu Apr 13 04:00:00 EDT 2017

DOI:https://doi.org/10.17188/1674618· OSTI ID:1674618

RbLiMg6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to two equivalent Li and ten Mg atoms to form a mixture of corner and face-sharing RbLi2Mg10 cuboctahedra. Both Rb–Li bond lengths are 3.25 Å. There are a spread of Rb–Mg bond distances ranging from 3.44–3.63 Å. Li is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms. There are a spread of Li–Mg bond distances ranging from 3.36–3.41 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Rb, one Li, and eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.19–3.43 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Rb, two equivalent Li, and five Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.10–3.36 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Li and six Mg atoms. Both Mg–Mg bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and eight Mg atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1674618
• Report Number(s): mp-1021315
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Li-Mg-Rb
RbLiMg6
crystal structure