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DOE OSTI2020

Materials Data on Eu3Th by Materials Project

ThEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Eu atoms to form ThEu12 cuboctahedra that share corners with four equivalent ThEu12 cuboctahedra, corners with eight equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen equivalent EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and eight longer (3.80 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Th and eight Eu atoms to form EuEu8Th4 cuboctahedra that share corners with twelve equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and four longer (3.80 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Th and eight equivalent Eu atoms to form EuEu8Th4 cuboctahedra that share corners with four equivalent EuEu8Th4 cuboctahedra, corners with eight equivalent ThEu12 cuboctahedra, edges with twenty-four EuEu8Th4 cuboctahedra, faces with six equivalent ThEu12 cuboctahedra, and faces with twelve EuEu8Th4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Th by Materials Project

ThEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (3.67 Å) and six longer (4.24 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.67 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuTh3 by Materials Project

Th3Eu 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 Eu atoms to form ThEu4Th8 cuboctahedra that share corners with twelve equivalent ThEu4Th8 cuboctahedra, edges with eight equivalent EuTh12 cuboctahedra, edges with sixteen equivalent ThEu4Th8 cuboctahedra, faces with four equivalent EuTh12 cuboctahedra, and faces with fourteen equivalent ThEu4Th8 cuboctahedra. All Th–Th bond lengths are 3.61 Å. All Th–Eu bond lengths are 3.61 Å. Eu is bonded to twelve equivalent Th atoms to form EuTh12 cuboctahedra that share corners with twelve equivalent EuTh12 cuboctahedra, edges with twenty-four equivalent ThEu4Th8 cuboctahedra, faces with six equivalent EuTh12 cuboctahedra, and faces with twelve equivalent ThEu4Th8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuTh3 by Materials Project

Th3Eu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Eu atoms to form ThEu4Th8 cuboctahedra that share corners with four equivalent EuTh12 cuboctahedra, corners with fourteen equivalent ThEu4Th8 cuboctahedra, edges with six equivalent EuTh12 cuboctahedra, edges with twelve equivalent ThEu4Th8 cuboctahedra, faces with four equivalent EuTh12 cuboctahedra, and faces with sixteen equivalent ThEu4Th8 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.57–3.62 Å. There are two shorter (3.59 Å) and two longer (3.63 Å) Th–Eu bond lengths. Eu is bonded to twelve equivalent Th atoms to form EuTh12 cuboctahedra that share corners with six equivalent EuTh12 cuboctahedra, corners with twelve equivalent ThEu4Th8 cuboctahedra, edges with eighteen equivalent ThEu4Th8 cuboctahedra, faces with eight equivalent EuTh12 cuboctahedra, and faces with twelve equivalent ThEu4Th8 cuboctahedra.

36 MATERIALS SCIENCE↗