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DOE OSTI · 1202410

Materials Data on Gd2NCl3 by Materials Project

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Abstract

Gd2NCl3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Gd3+ is bonded in a 7-coordinate geometry to two equivalent N3- and five Cl1- atoms. There are one shorter (2.28 Å) and one longer (2.29 Å) Gd–N bond lengths. There are a spread of Gd–Cl bond distances ranging from 2.78–3.00 Å. N3- is bonded to four equivalent Gd3+ atoms to form distorted edge-sharing NGd4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Gd3+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms.

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36 MATERIALS SCIENCECl-Gd-Ncrystal structureGd2NCl3

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2020-05-02. Materials Data on Gd2NCl3 by Materials Project. https://doi.org/10.17188/1202410

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