Materials Data on NaTc3 by Materials Project

Dataset · Fri Jul 24 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1315511· OSTI ID:1315511

The Materials Project

NaTc3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to fourteen Tc+0.33- atoms. There are eight shorter (2.70 Å) and six longer (3.11 Å) Na–Tc bond lengths. There are two inequivalent Tc+0.33- sites. In the first Tc+0.33- site, Tc+0.33- is bonded to four equivalent Na1+ and four equivalent Tc+0.33- atoms to form a mixture of distorted face, edge, and corner-sharing TcNa4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.70 Å. In the second Tc+0.33- site, Tc+0.33- is bonded in a 8-coordinate geometry to six equivalent Na1+ and eight equivalent Tc+0.33- 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: 1315511
• Report Number(s): mp-977138
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NaTc3
Na-Tc