Materials Data on RbNa2Ge17 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1191606· OSTI ID:1191606

RbNa2Ge17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one Na2Ge17 framework. In the Na2Ge17 framework, Na is bonded in a 8-coordinate geometry to twenty Ge atoms. There are a spread of Na–Ge bond distances ranging from 3.43–3.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to two equivalent Na and four Ge atoms to form a mixture of edge and corner-sharing GeNa2Ge4 tetrahedra. There are one shorter (2.54 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to three equivalent Na and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ge 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: 1191606
• Report Number(s): mp-16126
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Na-Rb
RbNa2Ge17
crystal structure