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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsClO3 by Materials Project

CsO3Cl crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.27–3.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent Cs and one Cl atom. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent Cs and one Cl atom. The O–Cl bond length is 1.52 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsClO3 by Materials Project

CsO3Cl is Potassium chlorate-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine equivalent O atoms. There are three shorter (3.21 Å) and six longer (3.39 Å) Cs–O bond lengths. O is bonded in a distorted single-bond geometry to three equivalent Cs 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 CsClO3 by Materials Project

CsO3Cl is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Cs–O bond distances ranging from 3.20–3.42 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent Cs and one Cl atom to form a mixture of distorted corner and edge-sharing OCs3Cl tetrahedra. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded in a 1-coordinate geometry to three equivalent Cs and one Cl atom. 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↗