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Materials Data on Tb2NiSb4 by Materials Project

Tb2NiSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Tb–Sb bond distances ranging from 3.23–3.41 Å. Ni2+ is bonded to four equivalent Sb2- atoms to form corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.49 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.07 Å. In the second Sb2- site, Sb2- is bonded in a 2-coordinate geometry to five equivalent Tb3+ and two equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗