Materials Data on K6MgO4 by Materials Project

Abstract

K6MgO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.00 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.83 Å. Mg2+ is bonded in a tetrahedral geometry to four O2- atoms. There are one shorter (2.03 Å) and three longer (2.07 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one Mg2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ and one Mg2+ atom.