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Materials Data on Nd3Tl by Materials Project

Nd3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Tl atoms to form distorted NdNd8Tl4 cuboctahedra that share corners with twelve equivalent NdNd8Tl4 cuboctahedra, edges with eight equivalent TlNd12 cuboctahedra, edges with sixteen equivalent NdNd8Tl4 cuboctahedra, faces with four equivalent TlNd12 cuboctahedra, and faces with fourteen equivalent NdNd8Tl4 cuboctahedra. All Nd–Nd bond lengths are 3.54 Å. All Nd–Tl bond lengths are 3.54 Å. Tl is bonded to twelve equivalent Nd atoms to form TlNd12 cuboctahedra that share corners with twelve equivalent TlNd12 cuboctahedra, edges with twenty-four equivalent NdNd8Tl4 cuboctahedra, faces with six equivalent TlNd12 cuboctahedra, and faces with twelve equivalent NdNd8Tl4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Nd3TlN by Materials Project

(Nd3Tl)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 Nd3Tl framework. In the Nd3Tl framework, Nd is bonded in a linear geometry to two equivalent Tl atoms. Both Nd–Tl bond lengths are 2.92 Å. Tl is bonded to six equivalent Nd atoms to form corner-sharing TlNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Nd3TlC by Materials Project

Nd3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Nd3Tl framework. In the Nd3Tl framework, Nd is bonded in a linear geometry to two equivalent Tl atoms. Both Nd–Tl bond lengths are 2.91 Å. Tl is bonded to six equivalent Nd atoms to form corner-sharing TlNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗