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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnGe3 by Materials Project

ZnGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Ge atoms to form ZnGe12 cuboctahedra that share corners with twelve equivalent ZnGe12 cuboctahedra, edges with twenty-four equivalent GeZn4Ge8 cuboctahedra, faces with six equivalent ZnGe12 cuboctahedra, and faces with twelve equivalent GeZn4Ge8 cuboctahedra. All Zn–Ge bond lengths are 2.99 Å. Ge is bonded to four equivalent Zn and eight equivalent Ge atoms to form distorted GeZn4Ge8 cuboctahedra that share corners with twelve equivalent GeZn4Ge8 cuboctahedra, edges with eight equivalent ZnGe12 cuboctahedra, edges with sixteen equivalent GeZn4Ge8 cuboctahedra, faces with four equivalent ZnGe12 cuboctahedra, and faces with fourteen equivalent GeZn4Ge8 cuboctahedra. All Ge–Ge bond lengths are 2.99 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Ge by Materials Project

Zn3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to eight Zn and four equivalent Ge atoms to form ZnZn8Ge4 cuboctahedra that share corners with twelve equivalent ZnZn8Ge4 cuboctahedra, edges with eight equivalent GeZn12 cuboctahedra, edges with sixteen ZnZn8Ge4 cuboctahedra, faces with four equivalent GeZn12 cuboctahedra, and faces with fourteen ZnZn8Ge4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.86 Å) Zn–Zn bond lengths. All Zn–Ge bond lengths are 2.86 Å. In the second Zn site, Zn is bonded to eight equivalent Zn and four equivalent Ge atoms to form distorted ZnZn8Ge4 cuboctahedra that share corners with four equivalent ZnZn8Ge4 cuboctahedra, corners with eight equivalent GeZn12 cuboctahedra, edges with twenty-four ZnZn8Ge4 cuboctahedra, faces with six equivalent GeZn12 cuboctahedra, and faces with twelve ZnZn8Ge4 cuboctahedra. All Zn–Ge bond lengths are 2.82 Å. Ge is bonded to twelve Zn atoms to form GeZn12 cuboctahedra that share corners with four equivalent GeZn12 cuboctahedra, corners with eight equivalent ZnZn8Ge4 cuboctahedra, edges with eight equivalent GeZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ge4 cuboctahedra, faces with four equivalent GeZn12 cuboctahedra, and faces with fourteen ZnZn8Ge4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnGe3 by Materials Project

ZnGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Ge atoms to form a mixture of face and corner-sharing ZnGe12 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.05 Å) Zn–Ge bond lengths. Ge is bonded in a 12-coordinate geometry to four equivalent Zn and eight equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.88–3.07 Å.

36 MATERIALS SCIENCE↗