Materials Data on NaSi by Materials Project

Abstract

NaSi crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to six Si atoms. There are a spread of Na–Si bond distances ranging from 3.01–3.40 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Na–Si bond distances ranging from 2.88–3.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Na and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.48 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to five Na and three Si atoms. The Si–Si bond length is 2.42 Å.