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DOE OSTI · 1713786

Materials Data on Y2TeS2 by Materials Project

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Abstract

Y2TeS2 is Corundum-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded to two equivalent Te2- and four equivalent S2- atoms to form a mixture of corner and edge-sharing YTe2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–23°. Both Y–Te bond lengths are 3.08 Å. There are two shorter (2.73 Å) and two longer (2.75 Å) Y–S bond lengths. Te2- is bonded in a square co-planar geometry to four equivalent Y3+ atoms. S2- is bonded to four equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing SY4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureS-Te-YY2TeS2

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2020-05-09. Materials Data on Y2TeS2 by Materials Project. https://doi.org/10.17188/1713786

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