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DOE OSTI2020

Materials Data on Th3Sn13Rh4 by Materials Project

Th3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Th–Rh bond lengths are 3.47 Å. There are eight shorter (3.43 Å) and four longer (3.46 Å) Th–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 3.37 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ThSnRh by Materials Project

ThRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (3.09 Å) and one longer (3.12 Å) Th–Rh bond lengths. There are two shorter (3.29 Å) and four longer (3.42 Å) Th–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.82 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.89 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Th and four Rh atoms.

36 MATERIALS SCIENCE↗