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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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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YCl3 by Materials Project

YCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YCl3 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded to six Cl1- atoms to form edge-sharing YCl6 octahedra. There are four shorter (2.66 Å) and two longer (2.67 Å) Y–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Y3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Cl3 by Materials Project

Y2Cl3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Y2Cl3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a pentagonal planar geometry to five Cl atoms. There are a spread of Y–Cl bond distances ranging from 2.72–2.84 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four Cl atoms. There are two shorter (2.76 Å) and two longer (2.79 Å) Y–Cl bond lengths. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Y atoms. In the second Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to three Y atoms. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ICl3 by Materials Project

ICl3 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ICl3 cluster. I is bonded in a rectangular see-saw-like geometry to four Cl atoms. There are a spread of I–Cl bond distances ranging from 2.39–2.74 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one I atom. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent I atoms. In the third Cl site, Cl is bonded in a single-bond geometry to one I atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCl by Materials Project

YCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six YCl sheets oriented in the (0, 0, 1) direction. Y is bonded in a 3-coordinate geometry to three equivalent Cl atoms. All Y–Cl bond lengths are 2.78 Å. Cl is bonded in a distorted T-shaped geometry to three equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ICl by Materials Project

ICl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ICl clusters. there are two inequivalent I sites. In the first I site, I is bonded in a distorted linear geometry to two Cl atoms. There are one shorter (2.41 Å) and one longer (2.76 Å) I–Cl bond lengths. In the second I site, I is bonded in a distorted single-bond geometry to one Cl atom. The I–Cl bond length is 2.59 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one I atom. In the second Cl site, Cl is bonded in a water-like geometry to two I atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ICl by Materials Project

ICl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ICl clusters. there are two inequivalent I sites. In the first I site, I is bonded in a distorted linear geometry to two Cl atoms. There are one shorter (2.42 Å) and one longer (2.78 Å) I–Cl bond lengths. In the second I site, I is bonded in a distorted single-bond geometry to one Cl atom. The I–Cl bond length is 2.56 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two I atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one I atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ICl by Materials Project

ICl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight iodine monochloride molecules. I is bonded in a distorted single-bond geometry to one Cl atom. The I–Cl bond length is 2.42 Å. Cl is bonded in a single-bond geometry to one I atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ICl2 by Materials Project

ICl2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is one-dimensional and consists of two ICl2 ribbons oriented in the (0, 0, 1) direction. I is bonded in a distorted rectangular see-saw-like geometry to four equivalent Cl atoms. All I–Cl bond lengths are 2.71 Å. Cl is bonded in a water-like geometry to two equivalent I atoms.

36 MATERIALS SCIENCE↗