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Results for “I-N-Zr”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrIN by Materials Project

ZrNI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNI sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Zr–N bond lengths. Both Zr–I bond lengths are 2.99 Å. N3- is bonded in a distorted see-saw-like geometry to four equivalent Zr4+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrIN by Materials Project

ZrNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNI sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.17 Å) and three longer (2.21 Å) Zr–N bond lengths. All Zr–I bond lengths are 3.10 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 trigonal pyramids. I1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗