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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb2Co2I by Materials Project

Tb2Co2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to six equivalent Co and three equivalent I atoms. There are three shorter (2.87 Å) and three longer (2.90 Å) Tb–Co bond lengths. All Tb–I bond lengths are 3.38 Å. Co is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Co atoms. All Co–Co bond lengths are 2.28 Å. I is bonded in a 6-coordinate geometry to six equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb7CoI12 by Materials Project

Tb7CoI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.06 Å. In the second Tb site, Tb is bonded to one Co and five I atoms to form distorted TbCoI5 octahedra that share corners with three equivalent TbCoI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Tb–Co bond length is 2.63 Å. There are a spread of Tb–I bond distances ranging from 3.12–3.49 Å. Co is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.

36 MATERIALS SCIENCE↗