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Results for “I-Nb-O”

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DOE OSTI2020

Materials Data on NbI3O by Materials Project

NbOI3 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of two NbOI3 ribbons oriented in the (0, 1, 0) direction. Nb5+ is bonded in a 2-coordinate geometry to two equivalent O2- and four I1- atoms. There are one shorter (1.83 Å) and one longer (2.18 Å) Nb–O bond lengths. There are a spread of Nb–I bond distances ranging from 2.68–2.95 Å. O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Nb5+ atom. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Nb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbI2O by Materials Project

NbOI2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOI2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. There is one shorter (1.85 Å) and one longer (2.12 Å) Nb–O bond length. There are two shorter (2.80 Å) and two longer (2.92 Å) Nb–I bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Nb4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbIO2 by Materials Project

NbO2I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NbO2I sheets oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 5-coordinate geometry to five O2- and two equivalent I1- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.20 Å. Both Nb–I bond lengths are 2.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ and one I1- atom. The O–I bond length is 3.02 Å. I1- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one O2- atom.

36 MATERIALS SCIENCE↗