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DOE OSTI2020

Materials Data on KClO3 by Materials Project

KClO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.86–3.18 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded to three equivalent K and one Cl atom to form a mixture of distorted edge and corner-sharing OK3Cl tetrahedra. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KClO3 by Materials Project

KClO3 is Potassium chlorate-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine equivalent O atoms. There are three shorter (2.91 Å) and six longer (3.06 Å) K–O bond lengths. O is bonded in a 4-coordinate geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KClO3 by Materials Project

KClO3 is Potassium chlorate-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.87–3.21 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent K and one Cl atom to form a mixture of distorted corner and edge-sharing OK3Cl tetrahedra. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded in a 2-coordinate geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.50 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

36 MATERIALS SCIENCE↗