Materials Data on KNO3 by Materials Project

Abstract

KNO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded to eight O2- atoms to form a mixture of distorted corner and edge-sharing KO8 hexagonal bipyramids. There are a spread of K–O bond distances ranging from 2.78–2.95 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one N5+ atom.