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DOE OSTI · 1746619

Materials Data on SrTi4(CuO4)3 by Materials Project

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Abstract

SrCu3Ti4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All Sr–O bond lengths are 2.65 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 39°. All Ti–O bond lengths are 1.99 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+, two equivalent Ti4+, and one Cu2+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-O-Sr-TiSrTi4(CuO4)3

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2020-04-29. Materials Data on SrTi4(CuO4)3 by Materials Project. https://doi.org/10.17188/1746619

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