Materials Data on BaAsPd by Materials Project

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

DOI:https://doi.org/10.17188/1314481· OSTI ID:1314481

The Materials Project

BaPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of face and edge-sharing BaAs6Pd6 cuboctahedra. All Ba–Pd bond lengths are 3.50 Å. All Ba–As bond lengths are 3.50 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Pd atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1314481
• Report Number(s): mp-9744
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaAsPd
As-Ba-Pd