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DOE OSTI2020

Materials Data on Nd3SnN by Materials Project

(Nd3Sn)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Nd3Sn framework. In the Nd3Sn framework, Nd is bonded in a linear geometry to two equivalent Sn atoms. Both Nd–Sn bond lengths are 2.92 Å. Sn is bonded to six equivalent Nd atoms to form corner-sharing SnNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3SnN by Materials Project

Nd3SnN 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 Sn and two equivalent N atoms. All Nd–Sn bond lengths are 3.55 Å. Both Nd–N bond lengths are 2.51 Å. Sn is bonded to twelve equivalent Nd atoms to form SnNd12 cuboctahedra that share corners with twelve equivalent SnNd12 cuboctahedra, faces with six equivalent SnNd12 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 SnNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗