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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr(SiRh)2 by Materials Project

PrRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Pr–Rh bond lengths are 3.29 Å. All Pr–Si bond lengths are 3.19 Å. Rh is bonded to four equivalent Pr and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhPr4Si4 tetrahedra. All Rh–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSi2Rh by Materials Project

PrRhSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.21–3.27 Å. Rh4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.45 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted single-bond geometry to six equivalent Pr4+, one Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.51 Å. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Pr4+ and four equivalent Rh4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2SiRh3 by Materials Project

Pr2Rh3Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to nine equivalent Rh atoms. There are three shorter (2.94 Å) and six longer (3.25 Å) Pr–Rh bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Pr, four equivalent Rh, and two equivalent Si atoms. All Rh–Rh bond lengths are 2.86 Å. Both Rh–Si bond lengths are 2.58 Å. Si is bonded to six equivalent Rh atoms to form distorted corner-sharing SiRh6 cuboctahedra.

36 MATERIALS SCIENCE↗