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DOE OSTI · 1745996

Materials Data on Y2Te3 by Materials Project

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Abstract

Y2Te3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing YTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two shorter (3.09 Å) and four longer (3.11 Å) Y–Te bond lengths. In the second Y3+ site, Y3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing YTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two shorter (3.08 Å) and four longer (3.09 Å) Y–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Y3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Y3+ atoms.

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36 MATERIALS SCIENCEcrystal structureTe-YY2Te3

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2020-05-09. Materials Data on Y2Te3 by Materials Project. https://doi.org/10.17188/1745996

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