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DOE OSTI2020

Materials Data on KPr3 by Materials Project

KPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent Pr atoms to form KPr12 cuboctahedra that share corners with twelve equivalent KPr12 cuboctahedra, edges with twenty-four equivalent PrK4Pr8 cuboctahedra, faces with six equivalent KPr12 cuboctahedra, and faces with twelve equivalent PrK4Pr8 cuboctahedra. All K–Pr bond lengths are 3.83 Å. Pr is bonded to four equivalent K and eight equivalent Pr atoms to form PrK4Pr8 cuboctahedra that share corners with twelve equivalent PrK4Pr8 cuboctahedra, edges with eight equivalent KPr12 cuboctahedra, edges with sixteen equivalent PrK4Pr8 cuboctahedra, faces with four equivalent KPr12 cuboctahedra, and faces with fourteen equivalent PrK4Pr8 cuboctahedra. All Pr–Pr bond lengths are 3.83 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K3Pr by Materials Project

K3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Pr atoms to form distorted KK8Pr4 cuboctahedra that share corners with four equivalent PrK12 cuboctahedra, corners with fourteen equivalent KK8Pr4 cuboctahedra, edges with six equivalent PrK12 cuboctahedra, edges with twelve equivalent KK8Pr4 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with sixteen equivalent KK8Pr4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.23–4.45 Å. All K–Pr bond lengths are 4.34 Å. Pr is bonded to twelve equivalent K atoms to form PrK12 cuboctahedra that share corners with six equivalent PrK12 cuboctahedra, corners with twelve equivalent KK8Pr4 cuboctahedra, edges with eighteen equivalent KK8Pr4 cuboctahedra, faces with eight equivalent PrK12 cuboctahedra, and faces with twelve equivalent KK8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗