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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 ReC2(IO)2 by Materials Project

ReC2(OI)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three ReC2(OI)2 clusters. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to three equivalent C and three equivalent I1- atoms to form distorted face-sharing ReC3I3 octahedra. All Re–C bond lengths are 1.91 Å. All Re–I bond lengths are 2.85 Å. In the second Re6+ site, Re6+ is bonded to six equivalent I1- atoms to form face-sharing ReI6 octahedra. All Re–I bond lengths are 2.74 Å. C is bonded in a linear geometry to one Re6+ and one O2- atom. The C–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one C atom. I1- is bonded in a distorted L-shaped geometry to two Re6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReC5IO5 by Materials Project

ReI(CO)5 is alpha carbon monoxide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules and four iodorhenium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re2C3I4O3 by Materials Project

Re2COI4(CO)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of sixteen formaldehyde molecules and two Re2COI4 ribbons oriented in the (0, 0, 1) direction. In each Re2COI4 ribbon, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.68–2.76 Å. In the second Re3+ site, Re3+ is bonded in a 3-coordinate geometry to three I1- atoms. There are a spread of Re–I bond distances ranging from 2.84–2.87 Å. C+1.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one C+1.33+ and two I1- atoms. There are one shorter (3.54 Å) and one longer (3.60 Å) O–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two Re3+ and one O2- atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Re3+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to two Re3+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReC4IO4 by Materials Project

ReI(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and four ReI clusters. In each ReI cluster, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Re–I bond lengths. In the second Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Re–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two Re3+ atoms.

36 MATERIALS SCIENCE↗