Materials Data on Pa3Tc by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314295· OSTI ID:1314295

The Materials Project

Pa3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pa and four equivalent Tc atoms to form a mixture of distorted face, edge, and corner-sharing PaPa4Tc4 tetrahedra. All Pa–Pa bond lengths are 3.06 Å. All Pa–Tc bond lengths are 3.06 Å. In the second Pa site, Pa is bonded in a 8-coordinate geometry to eight equivalent Pa and six equivalent Tc atoms. All Pa–Tc bond lengths are 3.53 Å. Tc is bonded in a distorted body-centered cubic geometry to fourteen Pa 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: 1314295
• Report Number(s): mp-973853
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Pa3Tc
Pa-Tc