Materials Data on Zn3Ga4Pd7 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205035· OSTI ID:1205035

Pd7Zn3Ga4 is beta-prime palladium aluminum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to four equivalent Zn and three Ga atoms. There are a spread of Pd–Zn bond distances ranging from 2.63–2.69 Å. There are one shorter (2.58 Å) and two longer (2.63 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Zn and five Ga atoms. There are one shorter (2.69 Å) and one longer (2.73 Å) Pd–Zn bond lengths. There are a spread of Pd–Ga bond distances ranging from 2.61–2.70 Å. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to three equivalent Zn and five Ga atoms. All Pd–Zn bond lengths are 2.73 Å. There are a spread of Pd–Ga bond distances ranging from 2.58–2.78 Å. Zn is bonded in a 7-coordinate geometry to seven Pd atoms. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to seven Pd atoms. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Pd 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: 1205035
• Report Number(s): mp-30662
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Pd-Zn
Zn3Ga4Pd7
crystal structure