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DOE OSTI2020

Materials Data on ThIN by Materials Project

ThNI crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ThNI sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 4-coordinate geometry to four equivalent N3- and four equivalent I1- atoms. All Th–N bond lengths are 2.35 Å. All Th–I bond lengths are 3.54 Å. N3- is bonded to four equivalent Th4+ atoms to form a mixture of corner and edge-sharing NTh4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Materials Data on Th2I2N by Materials Project

Th2NI2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Th2NI2 cluster. Th is bonded in a distorted linear geometry to one N and one I atom. The Th–N bond length is 2.07 Å. The Th–I bond length is 2.97 Å. N is bonded in a linear geometry to two equivalent Th atoms. I is bonded in a single-bond geometry to one Th atom.

36 MATERIALS SCIENCE↗