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DOE OSTI2019

Materials Data on Eu3Tc by Materials Project

Eu3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Eu and four equivalent Tc atoms to form a mixture of distorted edge, face, and corner-sharing EuEu4Tc4 tetrahedra. All Eu–Eu bond lengths are 3.33 Å. All Eu–Tc bond lengths are 3.33 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to eight equivalent Eu and six equivalent Tc atoms. All Eu–Tc bond lengths are 3.85 Å. Tc is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Eu3Tc by Materials Project

Eu3Tc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Eu and four equivalent Tc atoms to form distorted EuEu4Tc4 cuboctahedra that share corners with eight equivalent TcEu12 cuboctahedra, corners with sixteen EuEu4Tc4 cuboctahedra, edges with four equivalent TcEu12 cuboctahedra, edges with sixteen EuEu4Tc4 cuboctahedra, and faces with six equivalent EuEu4Tc4 cuboctahedra. All Eu–Eu bond lengths are 3.41 Å. All Eu–Tc bond lengths are 3.41 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Tc atoms to form EuEu8Tc4 cuboctahedra that share corners with eight equivalent TcEu12 cuboctahedra, corners with twenty EuEu4Tc4 cuboctahedra, edges with sixteen EuEu4Tc4 cuboctahedra, faces with four equivalent EuEu8Tc4 cuboctahedra, and faces with six equivalent TcEu12 cuboctahedra. All Eu–Tc bond lengths are 3.49 Å. Tc is bonded to twelve Eu atoms to form TcEu12 cuboctahedra that share corners with four equivalent TcEu12 cuboctahedra, corners with twenty-four EuEu4Tc4 cuboctahedra, edges with eight equivalent EuEu4Tc4 cuboctahedra, edges with eight equivalent TcEu12 cuboctahedra, faces with four equivalent TcEu12 cuboctahedra, and faces with six equivalent EuEu8Tc4 cuboctahedra.

36 MATERIALS SCIENCE↗