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DOE OSTI · 1678487

Materials Data on Ba2CuTeO2 by Materials Project

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Abstract

Ba2CuTeO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All Ba–Te bond lengths are 3.70 Å. All Ba–O bond lengths are 2.74 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.07 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent Ba2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form a mixture of corner, edge, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEBa-Cu-O-TeBa2CuTeO2crystal structure

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2018-12-27. Materials Data on Ba2CuTeO2 by Materials Project. https://doi.org/10.17188/1678487

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