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DOE OSTI · 1754429

Materials Data on Tb7MnI12 by Materials Project

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Abstract

Tb7MnI12 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 one Mn and five I atoms to form a mixture of distorted edge and corner-sharing TbMnI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Tb–Mn bond length is 2.64 Å. There are a spread of Tb–I bond distances ranging from 3.09–3.53 Å. In the second Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.05 Å. Mn 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 equivalent Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Tb atoms.

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36 MATERIALS SCIENCEcrystal structureI-Mn-TbTb7MnI12

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2020-05-04. Materials Data on Tb7MnI12 by Materials Project. https://doi.org/10.17188/1754429

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