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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zn13Co by Materials Project

CoZn13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with two equivalent CoZn12 cuboctahedra and faces with two equivalent ZnZn10Co2 cuboctahedra. There are a spread of Co–Zn bond distances ranging from 2.53–2.62 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Co and ten Zn atoms to form distorted ZnZn10Co2 cuboctahedra that share corners with two equivalent ZnZn10Co2 cuboctahedra and faces with two equivalent CoZn12 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.78 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.77 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to one Co and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.89 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Co and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–2.86 Å. In the fifth Zn site, Zn is bonded in a 1-coordinate geometry to one Co and ten Zn atoms. There are one shorter (2.55 Å) and one longer (2.73 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnCo3 by Materials Project

Co3Zn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Co and four equivalent Zn atoms. All Co–Co bond lengths are 2.46 Å. All Co–Zn bond lengths are 2.46 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight equivalent Co and six equivalent Zn atoms. All Co–Zn bond lengths are 2.84 Å. Zn is bonded in a distorted body-centered cubic geometry to fourteen Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Co by Materials Project

Zn3Co is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with four equivalent CoZn12 cuboctahedra, corners with eight equivalent ZnZn8Co4 cuboctahedra, edges with eight equivalent CoZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with fourteen ZnZn8Co4 cuboctahedra. There are four shorter (2.57 Å) and eight longer (2.69 Å) Co–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Co and eight Zn atoms to form ZnZn8Co4 cuboctahedra that share corners with twelve equivalent ZnZn8Co4 cuboctahedra, edges with eight equivalent CoZn12 cuboctahedra, edges with sixteen ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with fourteen ZnZn8Co4 cuboctahedra. There are four shorter (2.57 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Co and eight equivalent Zn atoms to form distorted ZnZn8Co4 cuboctahedra that share corners with four equivalent ZnZn8Co4 cuboctahedra, corners with eight equivalent CoZn12 cuboctahedra, edges with twenty-four ZnZn8Co4 cuboctahedra, faces with six equivalent CoZn12 cuboctahedra, and faces with twelve ZnZn8Co4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Co by Materials Project

Zn3Co is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded to twelve equivalent Zn atoms to form CoZn12 cuboctahedra that share corners with twelve equivalent CoZn12 cuboctahedra, edges with twenty-four equivalent ZnZn8Co4 cuboctahedra, faces with six equivalent CoZn12 cuboctahedra, and faces with twelve equivalent ZnZn8Co4 cuboctahedra. All Co–Zn bond lengths are 2.64 Å. Zn is bonded to four equivalent Co and eight equivalent Zn atoms to form ZnZn8Co4 cuboctahedra that share corners with twelve equivalent ZnZn8Co4 cuboctahedra, edges with eight equivalent CoZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with fourteen equivalent ZnZn8Co4 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗