Materials Data on K3Na by Materials Project

Abstract

K3Na crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to eight K and two equivalent Na atoms. There are a spread of K–K bond distances ranging from 4.39–4.66 Å. Both K–Na bond lengths are 4.36 Å. In the second K site, K is bonded in a 12-coordinate geometry to eight K and two equivalent Na atoms. There are a spread of K–K bond distances ranging from 4.39–4.66 Å. Both K–Na bond lengths are 4.36 Å. In the third K site, K is bonded in a 12-coordinate geometry to eight K and two equivalent Na atoms. There are two shorter (4.39 Å) and two longer (4.66 Å) K–K bond lengths. Both K–Na bond lengths are 4.36 Å. In the fourth K site, K is bonded in a 12-coordinate geometry to eight K and two equivalent Na atoms. Both K–Na bond lengths are 4.36 Å. Na is bonded in a 12-coordinate geometry to six K atoms.