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DOE OSTI · 1266993

Materials Data on CuBiTeO by Materials Project

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Abstract

BiCuOTe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one CuTe sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.37 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the CuTe sheet, Cu1+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Cu1+ atoms.

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36 MATERIALS SCIENCEBi-Cu-O-Tecrystal structureCuBiTeO

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2020-07-15. Materials Data on CuBiTeO by Materials Project. https://doi.org/10.17188/1266993

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36 MATERIALS SCIENCE↗