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Results for “Cl-Cs-O-V”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cs2VCl5O4 by Materials Project

Cs2VO4Cl5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.34–3.67 Å. V is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All V–O bond lengths are 1.84 Å. Both V–Cl bond lengths are 2.36 Å. O is bonded in a single-bond geometry to one V atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three equivalent Cs and one V atom. In the second Cl site, Cl is bonded in a see-saw-like geometry to four equivalent Cs atoms. In the third Cl site, Cl is bonded in a linear geometry to two equivalent Cs atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3V(Cl3O2)2 by Materials Project

Cs3V(O2Cl3)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a body-centered cubic geometry to eight Cl atoms. There are four shorter (3.41 Å) and four longer (3.43 Å) Cs–Cl bond lengths. In the second Cs site, Cs is bonded in a distorted body-centered cubic geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.46–3.78 Å. V is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All V–O bond lengths are 1.83 Å. Both V–Cl bond lengths are 2.40 Å. O is bonded in a single-bond geometry to one V atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a see-saw-like geometry to four Cs atoms. In the second Cl site, Cl is bonded in a 1-coordinate geometry to four Cs and one V atom.

36 MATERIALS SCIENCE↗