Materials Data on Ta5Ge3B by Materials Project

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

DOI:https://doi.org/10.17188/1731232· OSTI ID:1731232

Ta5BGe3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Ta–Ge bond lengths are 2.72 Å. In the second Ta site, Ta is bonded in a 7-coordinate geometry to two equivalent B and five equivalent Ge atoms. Both Ta–B bond lengths are 2.32 Å. There are a spread of Ta–Ge bond distances ranging from 2.71–2.95 Å. B is bonded to six equivalent Ta atoms to form face-sharing BTa6 octahedra. Ge is bonded in a 9-coordinate geometry to nine Ta 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: 1731232
• Report Number(s): mp-1189895
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-Ge-Ta
Ta5Ge3B
crystal structure