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DOE OSTI · 1679594

Materials Data on Nd2(OF)3 by Materials Project

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Abstract

Nd2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Nd–O bond lengths are 2.45 Å. All Nd–F bond lengths are 2.54 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Nd–O bond lengths are 2.44 Å. All Nd–F bond lengths are 2.40 Å. O is bonded in a trigonal non-coplanar geometry to three Nd atoms. F is bonded in a trigonal non-coplanar geometry to three Nd atoms.

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36 MATERIALS SCIENCEcrystal structureF-Nd-ONd2(OF)3

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2020-04-29. Materials Data on Nd2(OF)3 by Materials Project. https://doi.org/10.17188/1679594

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