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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YClO by Materials Project

YOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Y–O bond lengths are 2.26 Å. There are four shorter (3.10 Å) and one longer (3.11 Å) Y–Cl bond lengths. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YClO by Materials Project

YOCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three YOCl sheets oriented in the (0, 0, 1) direction. Y3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Cl1- atoms. There are three shorter (2.29 Å) and one longer (2.30 Å) Y–O bond lengths. All Y–Cl bond lengths are 2.81 Å. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2ClO2 by Materials Project

Y2O2Cl is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Y2O2Cl cluster. Y is bonded in a linear geometry to one O and one Cl atom. The Y–O bond length is 1.81 Å. The Y–Cl bond length is 2.83 Å. O is bonded in a single-bond geometry to one Y atom. Cl is bonded in a linear geometry to two equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YClO2 by Materials Project

YO2Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Y–O bond distances ranging from 2.28–2.43 Å. There are two shorter (2.78 Å) and one longer (3.03 Å) Y–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Y atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Y atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2ClO4 by Materials Project

Y2O4Cl crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one Y2O4Cl sheet oriented in the (1, 0, 0) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a rectangular see-saw-like geometry to two O and two equivalent Cl atoms. There are one shorter (2.05 Å) and one longer (2.07 Å) Y–O bond lengths. There are one shorter (2.73 Å) and one longer (2.81 Å) Y–Cl bond lengths. In the second Y site, Y is bonded to five O atoms to form distorted edge-sharing YO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.06–2.74 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Y and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a water-like geometry to two Y atoms. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one O atom. The O–O bond length is 1.50 Å. In the fourth O site, O is bonded in a water-like geometry to two Y atoms. Cl is bonded in a water-like geometry to two equivalent Y atoms.

36 MATERIALS SCIENCE↗