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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdTm3 by Materials Project

Tm3Nd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Nd atoms to form TmNd4Tm8 cuboctahedra that share corners with twelve equivalent TmNd4Tm8 cuboctahedra, edges with eight equivalent NdTm12 cuboctahedra, edges with sixteen equivalent TmNd4Tm8 cuboctahedra, faces with four equivalent NdTm12 cuboctahedra, and faces with fourteen equivalent TmNd4Tm8 cuboctahedra. All Tm–Tm bond lengths are 3.54 Å. All Tm–Nd bond lengths are 3.54 Å. Nd is bonded to twelve equivalent Tm atoms to form NdTm12 cuboctahedra that share corners with twelve equivalent NdTm12 cuboctahedra, edges with twenty-four equivalent TmNd4Tm8 cuboctahedra, faces with six equivalent NdTm12 cuboctahedra, and faces with twelve equivalent TmNd4Tm8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTm by Materials Project

TmNd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded to six equivalent Tm and six equivalent Nd atoms to form TmNd6Tm6 cuboctahedra that share corners with eighteen equivalent TmNd6Tm6 cuboctahedra, edges with six equivalent TmNd6Tm6 cuboctahedra, edges with twelve equivalent NdNd6Tm6 cuboctahedra, faces with eight equivalent TmNd6Tm6 cuboctahedra, and faces with twelve equivalent NdNd6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.62 Å. All Tm–Nd bond lengths are 3.59 Å. Nd is bonded to six equivalent Tm and six equivalent Nd atoms to form NdNd6Tm6 cuboctahedra that share corners with eighteen equivalent NdNd6Tm6 cuboctahedra, edges with six equivalent NdNd6Tm6 cuboctahedra, edges with twelve equivalent TmNd6Tm6 cuboctahedra, faces with eight equivalent NdNd6Tm6 cuboctahedra, and faces with twelve equivalent TmNd6Tm6 cuboctahedra. All Nd–Nd bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Tm by Materials Project

TmNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Nd atoms to form TmNd12 cuboctahedra that share corners with six equivalent TmNd12 cuboctahedra, corners with twelve equivalent NdNd8Tm4 cuboctahedra, edges with eighteen equivalent NdNd8Tm4 cuboctahedra, faces with eight equivalent TmNd12 cuboctahedra, and faces with twelve equivalent NdNd8Tm4 cuboctahedra. There are six shorter (3.64 Å) and six longer (3.66 Å) Tm–Nd bond lengths. Nd is bonded to four equivalent Tm and eight equivalent Nd atoms to form NdNd8Tm4 cuboctahedra that share corners with four equivalent TmNd12 cuboctahedra, corners with fourteen equivalent NdNd8Tm4 cuboctahedra, edges with six equivalent TmNd12 cuboctahedra, edges with twelve equivalent NdNd8Tm4 cuboctahedra, faces with four equivalent TmNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Tm4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.63–3.69 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTm3 by Materials Project

Tm3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to eight equivalent Tm and four equivalent Nd atoms to form TmNd4Tm8 cuboctahedra that share corners with four equivalent NdTm12 cuboctahedra, corners with fourteen TmNd4Tm8 cuboctahedra, edges with six equivalent NdTm12 cuboctahedra, edges with twelve equivalent TmNd4Tm8 cuboctahedra, faces with four equivalent NdTm12 cuboctahedra, and faces with sixteen TmNd4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.50–3.65 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Tm–Nd bond lengths. In the second Tm site, Tm is bonded to eight Tm and four equivalent Nd atoms to form TmNd4Tm8 cuboctahedra that share corners with four equivalent NdTm12 cuboctahedra, corners with fourteen TmNd4Tm8 cuboctahedra, edges with six equivalent NdTm12 cuboctahedra, edges with twelve TmNd4Tm8 cuboctahedra, faces with four equivalent NdTm12 cuboctahedra, and faces with sixteen TmNd4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.50–3.65 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Tm–Nd bond lengths. Nd is bonded to twelve Tm atoms to form NdTm12 cuboctahedra that share corners with six equivalent NdTm12 cuboctahedra, corners with twelve equivalent TmNd4Tm8 cuboctahedra, edges with eighteen TmNd4Tm8 cuboctahedra, faces with eight equivalent NdTm12 cuboctahedra, and faces with twelve TmNd4Tm8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Tm by Materials Project

TmNd2 is beta-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six equivalent Tm and six Nd atoms to form TmNd6Tm6 cuboctahedra that share corners with six equivalent TmNd6Tm6 cuboctahedra, corners with twelve NdNd9Tm3 cuboctahedra, edges with six equivalent TmNd6Tm6 cuboctahedra, edges with twelve NdNd9Tm3 cuboctahedra, faces with six equivalent TmNd6Tm6 cuboctahedra, and faces with fourteen NdNd9Tm3 cuboctahedra. All Tm–Tm bond lengths are 3.61 Å. All Tm–Nd bond lengths are 3.56 Å. In the second Tm site, Tm is bonded to six equivalent Tm and six Nd atoms to form TmNd6Tm6 cuboctahedra that share corners with six equivalent TmNd6Tm6 cuboctahedra, corners with seventeen NdNd9Tm3 cuboctahedra, edges with six equivalent TmNd6Tm6 cuboctahedra, edges with ten NdNd9Tm3 cuboctahedra, faces with six equivalent TmNd6Tm6 cuboctahedra, and faces with seventeen NdNd9Tm3 cuboctahedra. All Tm–Tm bond lengths are 3.61 Å. All Tm–Nd bond lengths are 3.56 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded to three equivalent Tm and nine equivalent Nd atoms to form NdNd9Tm3 cuboctahedra that share corners with six equivalent TmNd6Tm6 cuboctahedra, corners with nine equivalent NdNd9Tm3 cuboctahedra, edges with six equivalent TmNd6Tm6 cuboctahedra, edges with fifteen equivalent NdNd9Tm3 cuboctahedra, faces with seven equivalent TmNd6Tm6 cuboctahedra, and faces with twelve equivalent NdNd9Tm3 cuboctahedra. There are six shorter (3.61 Å) and three longer (3.77 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to three equivalent Tm and nine Nd atoms to form NdNd9Tm3 cuboctahedra that share corners with six equivalent TmNd6Tm6 cuboctahedra, corners with fourteen NdNd9Tm3 cuboctahedra, edges with six equivalent TmNd6Tm6 cuboctahedra, edges with thirteen NdNd9Tm3 cuboctahedra, faces with seven TmNd6Tm6 cuboctahedra, and faces with fifteen NdNd9Tm3 cuboctahedra. There are six shorter (3.61 Å) and three longer (3.77 Å) Nd–Nd bond lengths. In the third Nd site, Nd is bonded to three equivalent Tm and thirteen Nd atoms to form NdNd13Tm3 cuboctahedra that share corners with eleven TmNd6Tm6 cuboctahedra, corners with fourteen NdNd9Tm3 cuboctahedra, edges with four equivalent TmNd6Tm6 cuboctahedra, edges with seventeen NdNd9Tm3 cuboctahedra, faces with ten TmNd6Tm6 cuboctahedra, and faces with twenty-five NdNd9Tm3 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.61–7.22 Å.

36 MATERIALS SCIENCE↗