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DOE OSTI · 1666693

Materials Data on Sr2O3 by Materials Project

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Abstract

Sr2O3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent SrO6 octahedra. All Sr–O bond lengths are 3.24 Å. In the second Sr site, Sr is bonded to six equivalent O atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.29 Å. O is bonded in a linear geometry to six Sr atoms.

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36 MATERIALS SCIENCEcrystal structureO-SrSr2O3

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2020-07-18. Materials Data on Sr2O3 by Materials Project. https://doi.org/10.17188/1666693

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