Materials Data on NaS2 by Materials Project

Abstract

NaSS crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.85–3.27 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.91–3.11 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four Na and one S atom. The S–S bond length is 2.09 Å. In the second S site, S is bonded in a 4-coordinate geometry to two Na and two S atoms. The S–S bond length is 2.07 Å.