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DOE OSTI · 1206315

Materials Data on Pr2Te3 by Materials Project

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Abstract

Pr2Te3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.41 Å. In the second Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.45 Å. In the third Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.20–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Pr3+ atoms. In the second Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 square pyramids. In the third Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 square pyramids.

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36 MATERIALS SCIENCEcrystal structurePr-TePr2Te3

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2020-04-29. Materials Data on Pr2Te3 by Materials Project. https://doi.org/10.17188/1206315

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