Materials Data on BeTcSe by 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.
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