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DOE OSTI · 1205289

Materials Data on Sr3SiO by Materials Project

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Abstract

Sr3SiO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 2-coordinate geometry to three equivalent Si4- and two equivalent O2- atoms. There are a spread of Sr–Si bond distances ranging from 3.20–3.58 Å. Both Sr–O bond lengths are 2.58 Å. In the second Sr2+ site, Sr2+ is bonded in a 2-coordinate geometry to two equivalent Si4- and two equivalent O2- atoms. There are one shorter (3.18 Å) and one longer (3.36 Å) Sr–Si bond lengths. Both Sr–O bond lengths are 2.58 Å. Si4- is bonded in a 8-coordinate geometry to eight Sr2+ atoms. O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 21°.

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36 MATERIALS SCIENCEcrystal structureO-Si-SrSr3SiO

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2020-07-15. Materials Data on Sr3SiO by Materials Project. https://doi.org/10.17188/1205289

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