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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm3Th by Materials Project

ThTm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Tm atoms to form ThTm12 cuboctahedra that share corners with four equivalent ThTm12 cuboctahedra, corners with eight equivalent TmTm8Th4 cuboctahedra, edges with eight equivalent ThTm12 cuboctahedra, edges with sixteen equivalent TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with fourteen TmTm8Th4 cuboctahedra. There are eight shorter (3.52 Å) and four longer (3.54 Å) Th–Tm bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Th and eight Tm atoms to form TmTm8Th4 cuboctahedra that share corners with twelve equivalent TmTm8Th4 cuboctahedra, edges with eight equivalent ThTm12 cuboctahedra, edges with sixteen TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with fourteen TmTm8Th4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.54 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to four equivalent Th and eight equivalent Tm atoms to form TmTm8Th4 cuboctahedra that share corners with four equivalent TmTm8Th4 cuboctahedra, corners with eight equivalent ThTm12 cuboctahedra, edges with twenty-four TmTm8Th4 cuboctahedra, faces with six equivalent ThTm12 cuboctahedra, and faces with twelve TmTm8Th4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmTh3 by Materials Project

Th3Tm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Tm atoms to form ThTm4Th8 cuboctahedra that share corners with twelve equivalent ThTm4Th8 cuboctahedra, edges with eight equivalent TmTh12 cuboctahedra, edges with sixteen equivalent ThTm4Th8 cuboctahedra, faces with four equivalent TmTh12 cuboctahedra, and faces with fourteen equivalent ThTm4Th8 cuboctahedra. All Th–Th bond lengths are 3.56 Å. All Th–Tm bond lengths are 3.56 Å. Tm is bonded to twelve equivalent Th atoms to form TmTh12 cuboctahedra that share corners with twelve equivalent TmTh12 cuboctahedra, edges with twenty-four equivalent ThTm4Th8 cuboctahedra, faces with six equivalent TmTh12 cuboctahedra, and faces with twelve equivalent ThTm4Th8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Th by Materials Project

ThTm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Tm atoms to form ThTm12 cuboctahedra that share corners with six equivalent ThTm12 cuboctahedra, corners with twelve equivalent TmTm8Th4 cuboctahedra, edges with eighteen equivalent TmTm8Th4 cuboctahedra, faces with eight equivalent ThTm12 cuboctahedra, and faces with twelve equivalent TmTm8Th4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.54 Å) Th–Tm bond lengths. Tm is bonded to four equivalent Th and eight equivalent Tm atoms to form TmTm8Th4 cuboctahedra that share corners with four equivalent ThTm12 cuboctahedra, corners with fourteen equivalent TmTm8Th4 cuboctahedra, edges with six equivalent ThTm12 cuboctahedra, edges with twelve equivalent TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Th4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.52–3.55 Å.

36 MATERIALS SCIENCE↗