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DOE OSTI · 1280120

Materials Data on Sr11In3Ga4 by Materials Project

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Abstract

Sr11In3Ga4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted square co-planar geometry to one Sr, two equivalent In, and two equivalent Ga atoms. The Sr–Sr bond length is 4.14 Å. Both Sr–In bond lengths are 3.55 Å. Both Sr–Ga bond lengths are 3.44 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to three equivalent In and three equivalent Ga atoms. All Sr–In bond lengths are 3.59 Å. All Sr–Ga bond lengths are 3.39 Å. In the third Sr site, Sr is bonded in a cuboctahedral geometry to twelve equivalent Sr atoms. In the fourth Sr site, Sr is bonded in an octahedral geometry to six equivalent In atoms. All Sr–In bond lengths are 3.79 Å. In is bonded in a 9-coordinate geometry to nine Sr atoms. Ga is bonded in a 9-coordinate geometry to six Sr and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.78 Å.

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36 MATERIALS SCIENCEcrystal structureGa-In-SrSr11In3Ga4

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2020-04-29. Materials Data on Sr11In3Ga4 by Materials Project. https://doi.org/10.17188/1280120

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