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DOE OSTI2020

Materials Data on K3Sn by Materials Project

K3Sn 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 Sn atoms to form a mixture of distorted corner, edge, and face-sharing KK4Sn4 tetrahedra. All K–K bond lengths are 3.85 Å. All K–Sn bond lengths are 3.85 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K2Sn by Materials Project

K2Sn is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K is bonded to four equivalent Sn atoms to form a mixture of edge and corner-sharing KSn4 tetrahedra. There are three shorter (3.74 Å) and one longer (3.77 Å) K–Sn bond lengths. Sn is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KSn3 by Materials Project

KSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to twelve equivalent Sn atoms to form a mixture of distorted face and corner-sharing KSn12 cuboctahedra. There are six shorter (3.63 Å) and six longer (3.80 Å) K–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to four equivalent K and six equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗