Materials Data on KBaSn by Materials Project
KBaSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Sn atoms. All K–Ba bond lengths are 3.50 Å. All K–Sn bond lengths are 3.50 Å. Ba is bonded in a distorted q6 geometry to four equivalent K and six equivalent Sn atoms. All Ba–Sn bond lengths are 4.04 Å. Sn is bonded to four equivalent K and six equivalent Ba atoms to form a mixture of distorted face and corner-sharing SnK4Ba6 tetrahedra.
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