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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zr2CoMo3 by Materials Project

Zr2Mo3Co is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to nine equivalent Mo and three equivalent Co atoms. There are six shorter (3.11 Å) and three longer (3.13 Å) Zr–Mo bond lengths. All Zr–Co bond lengths are 3.06 Å. Mo is bonded to six equivalent Zr, four equivalent Mo, and two equivalent Co atoms to form MoZr6Co2Mo4 cuboctahedra that share corners with four equivalent CoZr6Mo6 cuboctahedra, corners with fourteen equivalent MoZr6Co2Mo4 cuboctahedra, edges with six equivalent MoZr6Co2Mo4 cuboctahedra, faces with six equivalent CoZr6Mo6 cuboctahedra, and faces with twelve equivalent MoZr6Co2Mo4 cuboctahedra. All Mo–Mo bond lengths are 2.61 Å. Both Mo–Co bond lengths are 2.68 Å. Co is bonded to six equivalent Zr and six equivalent Mo atoms to form CoZr6Mo6 cuboctahedra that share corners with six equivalent CoZr6Mo6 cuboctahedra, corners with twelve equivalent MoZr6Co2Mo4 cuboctahedra, edges with six equivalent CoZr6Mo6 cuboctahedra, and faces with eighteen equivalent MoZr6Co2Mo4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Co3Mo by Materials Project

Zr2MoCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to three equivalent Mo and nine equivalent Co atoms. All Zr–Mo bond lengths are 2.99 Å. There are three shorter (2.86 Å) and six longer (2.97 Å) Zr–Co bond lengths. Mo is bonded to six equivalent Zr and six equivalent Co atoms to form MoZr6Co6 cuboctahedra that share corners with six equivalent MoZr6Co6 cuboctahedra, corners with twelve equivalent CoZr6Co4Mo2 cuboctahedra, edges with six equivalent MoZr6Co6 cuboctahedra, and faces with eighteen equivalent CoZr6Co4Mo2 cuboctahedra. All Mo–Co bond lengths are 2.48 Å. Co is bonded to six equivalent Zr, two equivalent Mo, and four equivalent Co atoms to form distorted CoZr6Co4Mo2 cuboctahedra that share corners with four equivalent MoZr6Co6 cuboctahedra, corners with fourteen equivalent CoZr6Co4Mo2 cuboctahedra, edges with six equivalent CoZr6Co4Mo2 cuboctahedra, faces with six equivalent MoZr6Co6 cuboctahedra, and faces with twelve equivalent CoZr6Co4Mo2 cuboctahedra. All Co–Co bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Co3Mo by Materials Project

Zr2MoCo3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to three equivalent Mo and nine equivalent Co atoms. All Zr–Mo bond lengths are 2.96 Å. There are three shorter (2.88 Å) and six longer (2.94 Å) Zr–Co bond lengths. Mo is bonded to six equivalent Zr and six equivalent Co atoms to form MoZr6Co6 cuboctahedra that share corners with twelve equivalent CoZr6Co4Mo2 cuboctahedra, edges with six equivalent MoZr6Co6 cuboctahedra, faces with two equivalent MoZr6Co6 cuboctahedra, and faces with eighteen equivalent CoZr6Co4Mo2 cuboctahedra. All Mo–Co bond lengths are 2.51 Å. Co is bonded to six equivalent Zr, two equivalent Mo, and four equivalent Co atoms to form distorted CoZr6Co4Mo2 cuboctahedra that share corners with four equivalent MoZr6Co6 cuboctahedra, corners with fourteen equivalent CoZr6Co4Mo2 cuboctahedra, edges with six equivalent CoZr6Co4Mo2 cuboctahedra, faces with six equivalent MoZr6Co6 cuboctahedra, and faces with twelve equivalent CoZr6Co4Mo2 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.61 Å) Co–Co bond lengths.

36 MATERIALS SCIENCE↗