Materials Data on BeTcSe by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279160· OSTI ID:1279160

The Materials Project

BeTcSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se1- atoms. All Be–Tc bond lengths are 2.40 Å. All Be–Se bond lengths are 2.40 Å. Tc1- is bonded in a 10-coordinate geometry to four equivalent Be2+ and six equivalent Se1- atoms. All Tc–Se bond lengths are 2.77 Å. Se1- is bonded to four equivalent Be2+ and six equivalent Tc1- atoms to form a mixture of distorted face and corner-sharing SeBe4Tc6 tetrahedra.

• 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: 1279160
• Report Number(s): mp-631462
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BeTcSe
Be-Se-Tc