Results for “Os-Re” | Engineering Papers

DOE OSTI2020

Materials Data on ReOs3 by Materials Project

ReOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded to twelve equivalent Os1- atoms to form ReOs12 cuboctahedra that share corners with six equivalent ReOs12 cuboctahedra, corners with twelve equivalent OsRe4Os8 cuboctahedra, edges with eighteen equivalent OsRe4Os8 cuboctahedra, faces with eight equivalent ReOs12 cuboctahedra, and faces with twelve equivalent OsRe4Os8 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.77 Å) Re–Os bond lengths. Os1- is bonded to four equivalent Re3+ and eight equivalent Os1- atoms to form distorted OsRe4Os8 cuboctahedra that share corners with four equivalent ReOs12 cuboctahedra, corners with fourteen equivalent OsRe4Os8 cuboctahedra, edges with six equivalent ReOs12 cuboctahedra, edges with twelve equivalent OsRe4Os8 cuboctahedra, faces with four equivalent ReOs12 cuboctahedra, and faces with sixteen equivalent OsRe4Os8 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.71–2.78 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Re3Os by Materials Project

Re3Os is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Os atoms to form distorted ReRe8Os4 cuboctahedra that share corners with four equivalent OsRe12 cuboctahedra, corners with fourteen equivalent ReRe8Os4 cuboctahedra, edges with six equivalent OsRe12 cuboctahedra, edges with twelve ReRe8Os4 cuboctahedra, faces with four equivalent OsRe12 cuboctahedra, and faces with sixteen ReRe8Os4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.73–2.80 Å. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Os bond lengths. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Os atoms to form distorted ReRe8Os4 cuboctahedra that share corners with four equivalent OsRe12 cuboctahedra, corners with fourteen ReRe8Os4 cuboctahedra, edges with six equivalent OsRe12 cuboctahedra, edges with twelve equivalent ReRe8Os4 cuboctahedra, faces with four equivalent OsRe12 cuboctahedra, and faces with sixteen ReRe8Os4 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Os bond lengths. Os is bonded to twelve Re atoms to form OsRe12 cuboctahedra that share corners with six equivalent OsRe12 cuboctahedra, corners with twelve ReRe8Os4 cuboctahedra, edges with eighteen ReRe8Os4 cuboctahedra, faces with eight equivalent OsRe12 cuboctahedra, and faces with twelve ReRe8Os4 cuboctahedra.

36 MATERIALS SCIENCE↗