Materials Data on Ba4Zn11Ge12 by Materials Project

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

DOI:https://doi.org/10.17188/1754061· OSTI ID:1754061

Ba4Zn11Ge12 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.61 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Zn and twelve equivalent Ge atoms. All Ba–Zn bond lengths are 3.43 Å. All Ba–Ge bond lengths are 3.63 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Zn–Ge bond lengths are 2.51 Å. In the second Zn site, Zn is bonded in a 3-coordinate geometry to one Ba and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.56 Å. Ge is bonded in a 3-coordinate geometry to three Ba and three Zn 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: 1754061
• Report Number(s): mp-1214758
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ba-Ge-Zn
Ba4Zn11Ge12
crystal structure