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DOE OSTI · 1280084

Materials Data on Sr11Al4In3 by Materials Project

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Abstract

Sr11In3Al4 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 6-coordinate geometry to three equivalent In and three equivalent Al atoms. All Sr–In bond lengths are 3.60 Å. All Sr–Al bond lengths are 3.44 Å. In the second Sr site, Sr is bonded in a distorted square co-planar geometry to one Sr, two equivalent In, and two equivalent Al atoms. The Sr–Sr bond length is 4.17 Å. Both Sr–In bond lengths are 3.57 Å. Both Sr–Al bond lengths are 3.49 Å. In the third Sr site, Sr is bonded in a distorted octahedral geometry to six equivalent In atoms. All Sr–In bond lengths are 3.84 Å. In the fourth Sr site, Sr is bonded in a cuboctahedral geometry to twelve equivalent Sr atoms. In is bonded in a 9-coordinate geometry to nine Sr atoms. Al is bonded in a 9-coordinate geometry to six Sr and three equivalent Al atoms. All Al–Al bond lengths are 2.75 Å.

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36 MATERIALS SCIENCEAl-In-Srcrystal structureSr11Al4In3

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2020-04-30. Materials Data on Sr11Al4In3 by Materials Project. https://doi.org/10.17188/1280084

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