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DOE OSTI · 1278203

Materials Data on Nd3InN by Materials Project

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Abstract

(Nd3In)2N2 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one ammonia molecule and one Nd3In framework. In the Nd3In framework, there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a linear geometry to two equivalent In atoms. There are one shorter (3.03 Å) and one longer (3.04 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a linear geometry to two equivalent In atoms. There are one shorter (3.04 Å) and one longer (3.07 Å) Nd–In bond lengths. In the third Nd site, Nd is bonded in a linear geometry to two equivalent In atoms. There are one shorter (3.07 Å) and one longer (3.09 Å) Nd–In bond lengths. In is bonded to six Nd atoms to form corner-sharing InNd6 octahedra. The corner-sharing octahedral tilt angles are 1°.

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36 MATERIALS SCIENCEcrystal structureIn-N-NdNd3InN

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2020-07-16. Materials Data on Nd3InN by Materials Project. https://doi.org/10.17188/1278203

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