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Materials Data on Zn3Os by Materials Project

OsZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded to twelve Zn atoms to form OsZn12 cuboctahedra that share corners with four equivalent OsZn12 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with eight equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and eight longer (2.78 Å) Os–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Os and eight Zn atoms to form distorted ZnZn8Os4 cuboctahedra that share corners with twelve equivalent ZnZn8Os4 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with eight equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with ten equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.78 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a square co-planar geometry to four equivalent Os and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnOs by Materials Project

ZnOs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Os2- is bonded to six equivalent Zn2+ atoms to form a mixture of distorted edge, corner, and face-sharing OsZn6 cuboctahedra. All Os–Zn bond lengths are 2.68 Å. Zn2+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnOs3 by Materials Project

Os3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os+0.67- is bonded to eight equivalent Os+0.67- and four equivalent Zn2+ atoms to form distorted OsZn4Os8 cuboctahedra that share corners with four equivalent ZnOs12 cuboctahedra, corners with fourteen equivalent OsZn4Os8 cuboctahedra, edges with six equivalent ZnOs12 cuboctahedra, edges with twelve equivalent OsZn4Os8 cuboctahedra, faces with four equivalent ZnOs12 cuboctahedra, and faces with sixteen equivalent OsZn4Os8 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.67–2.82 Å. There are two shorter (2.67 Å) and two longer (2.75 Å) Os–Zn bond lengths. Zn2+ is bonded to twelve equivalent Os+0.67- atoms to form ZnOs12 cuboctahedra that share corners with six equivalent ZnOs12 cuboctahedra, corners with twelve equivalent OsZn4Os8 cuboctahedra, edges with eighteen equivalent OsZn4Os8 cuboctahedra, faces with eight equivalent ZnOs12 cuboctahedra, and faces with twelve equivalent OsZn4Os8 cuboctahedra.

36 MATERIALS SCIENCE↗