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DOE OSTI · 1288276

Materials Data on Sr3Fe2(HO)12 by Materials Project

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Abstract

Sr3Fe2(OH)12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent H1+ and four equivalent O2- atoms to form distorted SrH4O4 hexagonal bipyramids that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Sr–H bond lengths are 2.56 Å. All Sr–O bond lengths are 2.46 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent SrH4O4 hexagonal bipyramids. All Fe–O bond lengths are 1.83 Å. H1+ is bonded in a distorted single-bond geometry to one Sr2+ and one H1+ atom. The H–H bond length is 0.75 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Fe3+ atom.

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36 MATERIALS SCIENCEcrystal structureFe-H-O-SrSr3Fe2(HO)12

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2020-04-29. Materials Data on Sr3Fe2(HO)12 by Materials Project. https://doi.org/10.17188/1288276

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