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DOE OSTI · 1206419

Materials Data on Tm2Se3 by Materials Project

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Abstract

Tm2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tm–Se bond distances ranging from 2.82–3.29 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tm–Se bond distances ranging from 2.84–3.13 Å. In the third Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tm–Se bond distances ranging from 2.85–3.24 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Tm3+ atoms. In the second Se2- site, Se2- is bonded to five Tm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeTm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tm3+ atoms.

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36 MATERIALS SCIENCEcrystal structureSe-TmTm2Se3

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2020-04-30. Materials Data on Tm2Se3 by Materials Project. https://doi.org/10.17188/1206419

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