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DOE OSTI · 1701283

Materials Data on BaBiBrO2 by Materials Project

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Abstract

BaBiO2Br crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two BaBiO2Br sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Ba–O bond lengths are 2.62 Å. All Ba–Br bond lengths are 3.48 Å. Bi3+ is bonded to four equivalent O2- atoms to form distorted corner-sharing BiO4 trigonal pyramids. All Bi–O bond lengths are 2.27 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBa2Bi2 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Ba2+ atoms.

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36 MATERIALS SCIENCEBa-Bi-Br-OBaBiBrO2crystal structure

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2020-05-02. Materials Data on BaBiBrO2 by Materials Project. https://doi.org/10.17188/1701283

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