Materials Data on NaTl by Materials Project

Abstract

NaTl crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.35–3.75 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.28–3.33 Å. In the third Na site, Na is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.32–3.47 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to six Na and four equivalent Tl atoms. All Tl–Tl bond lengths are 3.27 Å. In the second Tl site, Tl is bonded in a 6-coordinate geometry to six Na and two equivalent Tl atoms.