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DOE OSTI2020

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↗

DOE OSTI2020

Materials Data on Nd2Tl by Materials Project

Nd2Tl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eight Nd and six equivalent Tl atoms. There are two shorter (3.49 Å) and six longer (3.67 Å) Nd–Nd bond lengths. All Nd–Tl bond lengths are 3.67 Å. In the second Nd site, Nd is bonded to six equivalent Nd and five equivalent Tl atoms to form a mixture of distorted face and corner-sharing NdNd6Tl5 trigonal bipyramids. There are three shorter (3.23 Å) and two longer (3.49 Å) Nd–Tl bond lengths. Tl is bonded in a 11-coordinate geometry to eleven Nd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NdTl3 by Materials Project

NdTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Tl atoms to form NdTl12 cuboctahedra that share corners with twelve equivalent NdTl12 cuboctahedra, edges with twenty-four equivalent TlNd4Tl8 cuboctahedra, faces with six equivalent NdTl12 cuboctahedra, and faces with twelve equivalent TlNd4Tl8 cuboctahedra. All Nd–Tl bond lengths are 3.42 Å. Tl is bonded to four equivalent Nd and eight equivalent Tl atoms to form distorted TlNd4Tl8 cuboctahedra that share corners with twelve equivalent TlNd4Tl8 cuboctahedra, edges with eight equivalent NdTl12 cuboctahedra, edges with sixteen equivalent TlNd4Tl8 cuboctahedra, faces with four equivalent NdTl12 cuboctahedra, and faces with fourteen equivalent TlNd4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.42 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NdTl by Materials Project

NdTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Nd–Tl bond lengths are 3.39 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.

36 MATERIALS SCIENCE↗