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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrRh3C by Materials Project

PrRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Rh atoms to form PrRh12 cuboctahedra that share corners with twelve equivalent PrRh12 cuboctahedra, faces with six equivalent PrRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Pr–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Pr and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RhPr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.13 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent PrRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrRhC2 by Materials Project

PrRhC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight equivalent C3- atoms. There are four shorter (2.83 Å) and four longer (2.89 Å) Pr–C bond lengths. Rh3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There are two shorter (2.11 Å) and two longer (2.17 Å) Rh–C bond lengths. C3- is bonded in a 7-coordinate geometry to four equivalent Pr3+, two equivalent Rh3+, and one C3- atom. The C–C bond length is 1.35 Å.

36 MATERIALS SCIENCE↗