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DOE OSTI2020

Materials Data on KTm by Materials Project

KTm is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent K and six equivalent Tm atoms to form KK6Tm6 cuboctahedra that share corners with eighteen equivalent KK6Tm6 cuboctahedra, edges with six equivalent KK6Tm6 cuboctahedra, edges with twelve equivalent TmK6Tm6 cuboctahedra, faces with eight equivalent KK6Tm6 cuboctahedra, and faces with twelve equivalent TmK6Tm6 cuboctahedra. All K–K bond lengths are 3.60 Å. All K–Tm bond lengths are 4.14 Å. Tm is bonded to six equivalent K and six equivalent Tm atoms to form TmK6Tm6 cuboctahedra that share corners with eighteen equivalent TmK6Tm6 cuboctahedra, edges with six equivalent TmK6Tm6 cuboctahedra, edges with twelve equivalent KK6Tm6 cuboctahedra, faces with eight equivalent TmK6Tm6 cuboctahedra, and faces with twelve equivalent KK6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.60 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K3Tm by Materials Project

K3Tm 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 Tm atoms to form distorted KK8Tm4 cuboctahedra that share corners with four equivalent TmK12 cuboctahedra, corners with fourteen equivalent KK8Tm4 cuboctahedra, edges with six equivalent TmK12 cuboctahedra, edges with twelve equivalent KK8Tm4 cuboctahedra, faces with four equivalent TmK12 cuboctahedra, and faces with sixteen equivalent KK8Tm4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.17–4.42 Å. There are two shorter (4.28 Å) and two longer (4.29 Å) K–Tm bond lengths. Tm is bonded to twelve equivalent K atoms to form TmK12 cuboctahedra that share corners with six equivalent TmK12 cuboctahedra, corners with twelve equivalent KK8Tm4 cuboctahedra, edges with eighteen equivalent KK8Tm4 cuboctahedra, faces with eight equivalent TmK12 cuboctahedra, and faces with twelve equivalent KK8Tm4 cuboctahedra.

36 MATERIALS SCIENCE↗