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Materials Data on Nd3InN by Materials Project

Nd3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Nd–In bond lengths are 3.56 Å. Both Nd–N bond lengths are 2.52 Å. In is bonded to twelve equivalent Nd atoms to form InNd12 cuboctahedra that share corners with twelve equivalent InNd12 cuboctahedra, faces with six equivalent InNd12 cuboctahedra, and faces with eight equivalent NNd6 octahedra. N is bonded to six equivalent Nd atoms to form NNd6 octahedra that share corners with six equivalent NNd6 octahedra and faces with eight equivalent InNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Nd3InN by Materials Project

(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°.

36 MATERIALS SCIENCE↗