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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y3Tm by Materials Project

TmY3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Y atoms to form TmY12 cuboctahedra that share corners with six equivalent TmY12 cuboctahedra, corners with twelve equivalent YY8Tm4 cuboctahedra, edges with eighteen equivalent YY8Tm4 cuboctahedra, faces with eight equivalent TmY12 cuboctahedra, and faces with twelve equivalent YY8Tm4 cuboctahedra. There are six shorter (3.54 Å) and six longer (3.62 Å) Tm–Y bond lengths. Y is bonded to four equivalent Tm and eight equivalent Y atoms to form YY8Tm4 cuboctahedra that share corners with four equivalent TmY12 cuboctahedra, corners with fourteen equivalent YY8Tm4 cuboctahedra, edges with six equivalent TmY12 cuboctahedra, edges with twelve equivalent YY8Tm4 cuboctahedra, faces with four equivalent TmY12 cuboctahedra, and faces with sixteen equivalent YY8Tm4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.55–3.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YTm3 by Materials Project

Tm3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to eight Tm and four equivalent Y atoms to form TmY4Tm8 cuboctahedra that share corners with four equivalent YTm12 cuboctahedra, corners with fourteen TmY4Tm8 cuboctahedra, edges with six equivalent YTm12 cuboctahedra, edges with twelve TmY4Tm8 cuboctahedra, faces with four equivalent YTm12 cuboctahedra, and faces with sixteen TmY4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.47–3.61 Å. There are two shorter (3.48 Å) and two longer (3.58 Å) Tm–Y bond lengths. In the second Tm site, Tm is bonded to eight equivalent Tm and four equivalent Y atoms to form TmY4Tm8 cuboctahedra that share corners with four equivalent YTm12 cuboctahedra, corners with fourteen TmY4Tm8 cuboctahedra, edges with six equivalent YTm12 cuboctahedra, edges with twelve equivalent TmY4Tm8 cuboctahedra, faces with four equivalent YTm12 cuboctahedra, and faces with sixteen TmY4Tm8 cuboctahedra. There are two shorter (3.48 Å) and two longer (3.58 Å) Tm–Y bond lengths. In the third Tm site, Tm is bonded to eight equivalent Tm and four equivalent Y atoms to form TmY4Tm8 cuboctahedra that share corners with four equivalent YTm12 cuboctahedra, corners with fourteen TmY4Tm8 cuboctahedra, edges with six equivalent YTm12 cuboctahedra, edges with twelve equivalent TmY4Tm8 cuboctahedra, faces with four equivalent YTm12 cuboctahedra, and faces with sixteen TmY4Tm8 cuboctahedra. There are two shorter (3.48 Å) and two longer (3.58 Å) Tm–Y bond lengths. Y is bonded to twelve Tm atoms to form YTm12 cuboctahedra that share corners with six equivalent YTm12 cuboctahedra, corners with twelve TmY4Tm8 cuboctahedra, edges with eighteen TmY4Tm8 cuboctahedra, faces with eight equivalent YTm12 cuboctahedra, and faces with twelve TmY4Tm8 cuboctahedra.

36 MATERIALS SCIENCE↗