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Materials Data on K3Sc by Materials Project

K3Sc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Sc atoms to form a mixture of distorted face, edge, and corner-sharing KK4Sc4 tetrahedra. All K–K bond lengths are 4.13 Å. All K–Sc bond lengths are 4.13 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Sc is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗