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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Co4Os by Materials Project

OsCo4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Os is bonded to six equivalent Os and six equivalent Co atoms to form OsCo6Os6 cuboctahedra that share corners with six equivalent OsCo6Os6 cuboctahedra, corners with six CoCo12 cuboctahedra, edges with six equivalent OsCo6Os6 cuboctahedra, edges with eighteen CoCo9Os3 cuboctahedra, faces with six equivalent OsCo6Os6 cuboctahedra, and faces with twelve equivalent CoCo9Os3 cuboctahedra. All Os–Os bond lengths are 2.59 Å. All Os–Co bond lengths are 2.61 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Os and nine Co atoms to form CoCo9Os3 cuboctahedra that share corners with twelve CoCo9Os3 cuboctahedra, edges with six equivalent OsCo6Os6 cuboctahedra, edges with eighteen CoCo9Os3 cuboctahedra, faces with six equivalent OsCo6Os6 cuboctahedra, and faces with twelve CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.49 Å) and six longer (2.59 Å) Co–Co bond lengths. In the third Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.59 Å. In the fifth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.59 Å. In the seventh Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent OsCo6Os6 cuboctahedra, corners with nine CoCo9Os3 cuboctahedra, edges with three equivalent OsCo6Os6 cuboctahedra, edges with twenty-one CoCo9Os3 cuboctahedra, and faces with eighteen CoCo9Os3 cuboctahedra. There are three shorter (2.48 Å) and six longer (2.59 Å) Co–Co bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoOs by Materials Project

CoOs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Os2- is bonded to six equivalent Os2- and six equivalent Co2+ atoms to form a mixture of distorted edge, face, and corner-sharing OsCo6Os6 cuboctahedra. All Os–Os bond lengths are 2.67 Å. All Os–Co bond lengths are 2.57 Å. Co2+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co3Os by Materials Project

OsCo3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded to twelve Co atoms to form OsCo12 cuboctahedra that share corners with four equivalent OsCo12 cuboctahedra, corners with eight equivalent CoCo8Os4 cuboctahedra, edges with eight equivalent OsCo12 cuboctahedra, edges with sixteen equivalent CoCo8Os4 cuboctahedra, faces with four equivalent OsCo12 cuboctahedra, and faces with fourteen CoCo8Os4 cuboctahedra. There are eight shorter (2.52 Å) and four longer (2.53 Å) Os–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Os and eight Co atoms to form CoCo8Os4 cuboctahedra that share corners with twelve equivalent CoCo8Os4 cuboctahedra, edges with eight equivalent OsCo12 cuboctahedra, edges with sixteen CoCo8Os4 cuboctahedra, faces with four equivalent OsCo12 cuboctahedra, and faces with fourteen CoCo8Os4 cuboctahedra. There are four shorter (2.52 Å) and four longer (2.53 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Os and eight equivalent Co atoms to form CoCo8Os4 cuboctahedra that share corners with four equivalent CoCo8Os4 cuboctahedra, corners with eight equivalent OsCo12 cuboctahedra, edges with twenty-four CoCo8Os4 cuboctahedra, faces with six equivalent OsCo12 cuboctahedra, and faces with twelve CoCo8Os4 cuboctahedra.

36 MATERIALS SCIENCE↗