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DOE OSTI2020

Materials Data on Th3Bi4 by Materials Project

Th3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Th is bonded to eight equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing ThBi8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.39 Å) Th–Bi bond lengths. Bi is bonded to six equivalent Th atoms to form a mixture of distorted corner, edge, and face-sharing BiTh6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThBi by Materials Project

ThBi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Bi atoms. All Th–Bi bond lengths are 3.42 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThBi2 by Materials Project

Bi2Th crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Th–Bi bond distances ranging from 3.32–3.47 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.22 Å. In the second Bi site, Bi is bonded to five equivalent Th atoms to form a mixture of distorted corner and edge-sharing BiTh5 trigonal bipyramids.

36 MATERIALS SCIENCE↗