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Materials Data on CrCo3 by Materials Project

Co3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Co atoms to form CrCo12 cuboctahedra that share corners with twelve equivalent CrCo12 cuboctahedra, edges with twenty-four equivalent CoCr4Co8 cuboctahedra, faces with six equivalent CrCo12 cuboctahedra, and faces with twelve equivalent CoCr4Co8 cuboctahedra. All Cr–Co bond lengths are 2.46 Å. Co is bonded to four equivalent Cr and eight equivalent Co atoms to form CoCr4Co8 cuboctahedra that share corners with twelve equivalent CoCr4Co8 cuboctahedra, edges with eight equivalent CrCo12 cuboctahedra, edges with sixteen equivalent CoCr4Co8 cuboctahedra, faces with four equivalent CrCo12 cuboctahedra, and faces with fourteen equivalent CoCr4Co8 cuboctahedra. All Co–Co bond lengths are 2.46 Å.

36 MATERIALS SCIENCE↗

Materials Data on CrCo3 by Materials Project

Co3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to twelve Co atoms to form CrCo12 cuboctahedra that share corners with six equivalent CrCo12 cuboctahedra, corners with twelve CoCr4Co8 cuboctahedra, edges with eighteen CoCr4Co8 cuboctahedra, faces with eight equivalent CrCo12 cuboctahedra, and faces with twelve CoCr4Co8 cuboctahedra. There are six shorter (2.46 Å) and six longer (2.50 Å) Cr–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Cr and eight Co atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent CrCo12 cuboctahedra, corners with fourteen CoCr4Co8 cuboctahedra, edges with six equivalent CrCo12 cuboctahedra, edges with twelve CoCr4Co8 cuboctahedra, faces with four equivalent CrCo12 cuboctahedra, and faces with sixteen CoCr4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.51 Å. In the second Co site, Co is bonded to four equivalent Cr and eight equivalent Co atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent CrCo12 cuboctahedra, corners with fourteen CoCr4Co8 cuboctahedra, edges with six equivalent CrCo12 cuboctahedra, edges with twelve equivalent CoCr4Co8 cuboctahedra, faces with four equivalent CrCo12 cuboctahedra, and faces with sixteen CoCr4Co8 cuboctahedra. In the third Co site, Co is bonded to four equivalent Cr and eight equivalent Co atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent CrCo12 cuboctahedra, corners with fourteen CoCr4Co8 cuboctahedra, edges with six equivalent CrCo12 cuboctahedra, edges with twelve equivalent CoCr4Co8 cuboctahedra, faces with four equivalent CrCo12 cuboctahedra, and faces with sixteen CoCr4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on CrCo3 by Materials Project

Co3Cr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr is bonded to six equivalent Cr and six equivalent Co atoms to form CrCr6Co6 cuboctahedra that share corners with six equivalent CrCr6Co6 cuboctahedra, corners with twelve equivalent CoCo12 cuboctahedra, edges with six equivalent CrCr6Co6 cuboctahedra, edges with twelve equivalent CoCr3Co9 cuboctahedra, faces with six equivalent CrCr6Co6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Cr–Cr bond lengths are 2.50 Å. All Cr–Co bond lengths are 2.46 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with twelve equivalent CrCr6Co6 cuboctahedra, edges with eighteen CoCo12 cuboctahedra, faces with two equivalent CrCr6Co6 cuboctahedra, and faces with eighteen CoCo12 cuboctahedra. There are six shorter (2.47 Å) and six longer (2.50 Å) Co–Co bond lengths. In the second Co site, Co is bonded to three equivalent Cr and nine Co atoms to form CoCr3Co9 cuboctahedra that share corners with eighteen equivalent CoCr3Co9 cuboctahedra, edges with six equivalent CrCr6Co6 cuboctahedra, edges with twelve CoCo12 cuboctahedra, faces with six equivalent CrCr6Co6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Co–Co bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗