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Results for “C-F-I”

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 CIF7 by Materials Project

CF3IF4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and four IF4 clusters. In each IF4 cluster, I5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of I–F bond distances ranging from 1.95–1.97 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CIF3 by Materials Project

CF3I crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of eight CF3I ribbons oriented in the (1, 0, 0) direction. C4+ is bonded in a trigonal non-coplanar geometry to one I1- and three F1- atoms. The C–I bond length is 2.17 Å. All C–F bond lengths are 1.35 Å. I1- is bonded in a 2-coordinate geometry to one C4+ and one F1- atom. The I–F bond length is 3.73 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ and one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CIF5 by Materials Project

CF2(CIF5)2CIF4IF4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one difluoromethane molecule, one CIF4 cluster, two CIF5 clusters, and one IF4 cluster. In the CIF4 cluster, C is bonded in a water-like geometry to one I and two F atoms. The C–I bond length is 2.21 Å. There is one shorter (1.32 Å) and one longer (1.33 Å) C–F bond length. I is bonded in a distorted T-shaped geometry to one C and two F atoms. There are one shorter (2.00 Å) and one longer (2.02 Å) I–F bond lengths. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one C atom. In the fourth F site, F is bonded in a single-bond geometry to one C atom. In each CIF5 cluster, C is bonded in a trigonal non-coplanar geometry to one I and three F atoms. The C–I bond length is 2.22 Å. All C–F bond lengths are 1.34 Å. I is bonded in a distorted T-shaped geometry to one C and two F atoms. There are one shorter (2.01 Å) and one longer (2.04 Å) I–F bond lengths. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one C atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one C atom. In the fourth F site, F is bonded in a single-bond geometry to one C atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the IF4 cluster, I is bonded in a distorted rectangular see-saw-like geometry to four F atoms. There are a spread of I–F bond distances ranging from 1.95–1.97 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C6IF7 by Materials Project

(CF)5CIF2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of forty fluoromethane molecules; four CIF2 clusters; and two CIF2 ribbons oriented in the (1, 0, 0) direction. In each CIF2 cluster, C+1.33+ is bonded in a distorted single-bond geometry to one I1- atom. The C–I bond length is 2.08 Å. I1- is bonded in a 2-coordinate geometry to one C+1.33+ and two F1- atoms. There are one shorter (2.00 Å) and one longer (2.07 Å) I–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I1- atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one I1- atom. In each CIF2 ribbon, C+1.33+ is bonded in a distorted single-bond geometry to one I1- atom. The C–I bond length is 2.08 Å. I1- is bonded in a 4-coordinate geometry to one C+1.33+ and three F1- atoms. There are a spread of I–F bond distances ranging from 2.00–2.78 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I1- atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent I1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3IF2 by Materials Project

CI1(CF)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight fluoromethane molecules and four iodomethane molecules.

36 MATERIALS SCIENCE↗