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DOE OSTI2020

Materials Data on ThNi by Materials Project

ThNi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.91–3.05 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.91–3.06 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Th and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.71 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Th and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗

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↗