Materials Data on Zn4Ni5Ge by Materials Project

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

DOI:https://doi.org/10.17188/1747575· OSTI ID:1747575

Ni5Zn4Ge is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ge atoms. All Ni–Zn bond lengths are 2.56 Å. All Ni–Ge bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Zn atoms. There are four shorter (2.50 Å) and four longer (2.51 Å) Ni–Zn bond lengths. In the third Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ni–Zn bond lengths are 2.51 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted body-centered cubic geometry to eight Ni atoms. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Ni atoms. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Ni 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: 1747575
• Report Number(s): mp-1215585
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ni-Zn
Zn4Ni5Ge
crystal structure