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DOE OSTI · 1317527

Materials Data on PrTlTe2 by Materials Project

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Abstract

PrTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Te2- atoms to form PrTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Pr–Te bond lengths are 3.22 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent PrTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.52 Å. Te2- is bonded to three equivalent Pr3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TePr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structurePr-Te-TlPrTlTe2

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2020-07-16. Materials Data on PrTlTe2 by Materials Project. https://doi.org/10.17188/1317527

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