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DOE OSTI · 1739009

Materials Data on BaSr(CuO2)2 by Materials Project

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Abstract

BaSr(CuO2)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.63 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa2Sr2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

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36 MATERIALS SCIENCEBa-Cu-O-SrBaSr(CuO2)2crystal structure

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2020-05-03. Materials Data on BaSr(CuO2)2 by Materials Project. https://doi.org/10.17188/1739009

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