Materials Data on NaSi6 by Materials Project

Abstract

NaSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded in a 10-coordinate geometry to fourteen Si atoms. There are a spread of Na–Si bond distances ranging from 3.19–3.45 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Na and four Si atoms. There are two shorter (2.38 Å) and two longer (2.41 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to two equivalent Na and four Si atoms. There are one shorter (2.38 Å) and two longer (2.40 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 4-coordinate geometry to two equivalent Na and four Si atoms. The Si–Si bond length is 2.40 Å.