Materials Data on K2B(PO4)2 by Materials Project

Abstract

K2B(PO4)2 crystallizes in the tetragonal I-42d 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 2.79–3.00 Å. B is bonded to four equivalent O atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.58 Å) P–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one K, one B, and one P atom.