Materials Data on Na10CaSn12 by Materials Project

Abstract

Na10CaSn12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Sn atoms to form corner-sharing NaSn4 tetrahedra. All Na–Sn bond lengths are 3.24 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine equivalent Sn atoms. There are three shorter (3.46 Å) and six longer (3.55 Å) Na–Sn bond lengths. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. All Ca–Sn bond lengths are 3.48 Å. Sn is bonded in a 9-coordinate geometry to five Na, one Ca, and three equivalent Sn atoms. There are one shorter (2.92 Å) and two longer (3.01 Å) Sn–Sn bond lengths.