Materials Data on KMg2(PO4)2 by Materials Project

Abstract

KMg2(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.95–3.28 Å. Mg is bonded to four O atoms to form MgO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.92–1.96 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent MgO4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mg and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Mg, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Mg, and one P atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K, one Mg, and one P atom.