Materials Data on Na6MoN4 by Materials Project

Abstract

Na6MoN4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. There are two shorter (2.40 Å) and two longer (2.81 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. There are two shorter (2.45 Å) and two longer (2.50 Å) Na–N bond lengths. Mo6+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Mo–N bond lengths are 1.91 Å. N3- is bonded in a 7-coordinate geometry to six Na1+ and one Mo6+ atom.