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DOE OSTI · 1710631

Materials Data on BaClO3 by Materials Project

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Abstract

BaO3Cl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two BaO3Cl sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 8-coordinate geometry to four equivalent O and four equivalent Cl atoms. All Ba–O bond lengths are 2.68 Å. All Ba–Cl bond lengths are 3.08 Å. There are two inequivalent O sites. In the first O site, O is bonded in a square co-planar geometry to four equivalent O atoms. All O–O bond lengths are 1.91 Å. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba and two equivalent O atoms. Cl is bonded in a 4-coordinate geometry to four equivalent Ba atoms.

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36 MATERIALS SCIENCEBa-Cl-OBaClO3crystal structure

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2020-05-02. Materials Data on BaClO3 by Materials Project. https://doi.org/10.17188/1710631

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