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DOE OSTI · 1267605

Materials Data on NdBi2BrO4 by Materials Project

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Abstract

NdBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.47 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.27 Å. All Bi–Br bond lengths are 3.53 Å. O2- is bonded to two equivalent Nd3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing ONd2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-Br-Nd-Ocrystal structureNdBi2BrO4

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2020-07-16. Materials Data on NdBi2BrO4 by Materials Project. https://doi.org/10.17188/1267605

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36 MATERIALS SCIENCE↗