Materials Data on Ta3Pt by Materials Project

Dataset · Thu Sep 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1757785· OSTI ID:1757785

The Materials Project

Ta3Pt is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Pt atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Pt4 tetrahedra. All Ta–Ta bond lengths are 2.83 Å. All Ta–Pt bond lengths are 2.83 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Pt atoms. All Ta–Pt bond lengths are 3.27 Å. Pt is bonded in a distorted body-centered cubic geometry to fourteen Ta 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: 1757785
• Report Number(s): mp-1187204
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ta3Pt
Pt-Ta