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DOE OSTI · 1662413

Materials Data on BaBiClO2 by Materials Project

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Abstract

BaBiO2Cl crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two BaBiO2Cl sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.64 Å. All Ba–Cl bond lengths are 3.33 Å. Bi3+ is bonded to four equivalent O2- atoms to form distorted corner-sharing BiO4 trigonal pyramids. All Bi–O bond lengths are 2.26 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OBa2Bi2 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ba2+ atoms.

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36 MATERIALS SCIENCEBa-Bi-Cl-OBaBiClO2crystal structure

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2020-07-23. Materials Data on BaBiClO2 by Materials Project. https://doi.org/10.17188/1662413

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