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DOE OSTI · 1195526

Materials Data on Sr(InTe2)2 by Materials Project

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Abstract

Sr(InTe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.51 Å) and four longer (3.58 Å) Sr–Te bond lengths. In3+ is bonded to four Te2- atoms to form edge-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.88 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded to two equivalent Sr2+ and two equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing TeSr2In2 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureIn-Sr-TeSr(InTe2)2

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2020-07-17. Materials Data on Sr(InTe2)2 by Materials Project. https://doi.org/10.17188/1195526

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DOE OSTI2026

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