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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cs6Cl4O by Materials Project

Cs6OCl4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded to one O2- and five Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing CsCl5O octahedra. The corner-sharing octahedra tilt angles range from 0–64°. The Cs–O bond length is 2.89 Å. There are a spread of Cs–Cl bond distances ranging from 3.47–3.87 Å. O2- is bonded in an octahedral geometry to six equivalent Cs1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Cs1+ atoms. In the second Cl1- site, Cl1- is bonded in a 8-coordinate geometry to eight equivalent Cs1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsClO4 by Materials Project

CsClO4 crystallizes in the orthorhombic Pnma 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 3.24–3.69 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Cs and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Cs and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsClO4 by Materials Project

CsClO4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent O atoms. All Cs–O bond lengths are 3.42 Å. O is bonded in a single-bond geometry to three equivalent Cs and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsClO2 by Materials Project

CsO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs is bonded to eight equivalent O atoms to form a mixture of edge, face, and corner-sharing CsO8 hexagonal bipyramids. There are four shorter (3.18 Å) and four longer (3.43 Å) Cs–O bond lengths. O is bonded in a 5-coordinate geometry to four equivalent Cs and one Cl atom. The O–Cl bond length is 1.58 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3ClO by Materials Project

Cs3OCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted single-bond geometry to one O2- and four equivalent Cl1- atoms. The Cs–O bond length is 2.71 Å. There are two shorter (3.64 Å) and two longer (3.65 Å) Cs–Cl bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to three equivalent O2- and two equivalent Cl1- atoms. All Cs–O bond lengths are 2.99 Å. There are one shorter (3.95 Å) and one longer (4.04 Å) Cs–Cl bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two equivalent O2- and three equivalent Cl1- atoms. Both Cs–O bond lengths are 2.94 Å. There are two shorter (3.76 Å) and one longer (3.77 Å) Cs–Cl bond lengths. O2- is bonded to six Cs1+ atoms to form edge-sharing OCs6 octahedra. Cl1- is bonded in a 9-coordinate geometry to nine Cs1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsClO4 by Materials Project

CsClO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.12 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.14 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the second O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the third O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the seventh O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
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↗