Materials Data on Ga2Pd5 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1207797· OSTI ID:1207797

Pd5Ga2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted water-like geometry to two equivalent Ga atoms. Both Pd–Ga bond lengths are 2.56 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to five Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.59–2.96 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Ga atoms. There are two shorter (2.58 Å) and one longer (2.63 Å) Pd–Ga bond lengths. In the fourth Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.78 Å. In the fifth Pd site, Pd is bonded in a 2-coordinate geometry to four Ga atoms. There are two shorter (2.59 Å) and two longer (2.87 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Ga site, Ga is bonded in a 12-coordinate 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: 1207797
• Report Number(s): mp-405
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Pd
Ga2Pd5
crystal structure