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DOE OSTI · 1705401

Materials Data on Tm2Te5 by Materials Project

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Abstract

Tm2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Tm2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 9-coordinate geometry to nine Te+1.20- atoms. There are a spread of Tm–Te bond distances ranging from 3.21–3.25 Å. In the second Tm3+ site, Tm3+ is bonded in a 9-coordinate geometry to nine Te+1.20- atoms. There are a spread of Tm–Te bond distances ranging from 3.14–3.28 Å. There are five inequivalent Te+1.20- sites. In the first Te+1.20- site, Te+1.20- is bonded in a 2-coordinate geometry to two equivalent Tm3+ and four equivalent Te+1.20- atoms. All Te–Te bond lengths are 3.09 Å. In the second Te+1.20- site, Te+1.20- is bonded in a 2-coordinate geometry to two equivalent Tm3+ and four equivalent Te+1.20- atoms. In the third Te+1.20- site, Te+1.20- is bonded in a 8-coordinate geometry to four equivalent Tm3+ and four equivalent Te+1.20- atoms. All Te–Te bond lengths are 3.09 Å. In the fourth Te+1.20- site, Te+1.20- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing TeTm5 trigonal bipyramids. In the fifth Te+1.20- site, Te+1.20- is bonded in a 5-coordinate geometry to five Tm3+ atoms.

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36 MATERIALS SCIENCEcrystal structureTe-TmTm2Te5

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2020-05-03. Materials Data on Tm2Te5 by Materials Project. https://doi.org/10.17188/1705401

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