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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Hf2Co7 by Materials Project

Co7Hf2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Hf is bonded in a 8-coordinate geometry to fourteen Co atoms. There are a spread of Hf–Co bond distances ranging from 2.73–2.87 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Hf and eight Co atoms to form a mixture of face, edge, and corner-sharing CoHf4Co8 cuboctahedra. There are four shorter (2.37 Å) and four longer (2.50 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Hf and eight Co atoms to form a mixture of face, edge, and corner-sharing CoHf4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.33–2.49 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Hf and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2Co7 by Materials Project

Co7Hf2 is Frank-Kasper $\mu$ Phase-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to fourteen Co atoms. There are a spread of Hf–Co bond distances ranging from 2.72–2.87 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to fourteen Co atoms. There are a spread of Hf–Co bond distances ranging from 2.73–2.87 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four Hf and eight Co atoms to form a mixture of corner, edge, and face-sharing CoHf4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.32–2.49 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to four equivalent Hf and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.35–2.76 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Hf and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.78 Å. In the fourth Co site, Co is bonded to four Hf and eight Co atoms to form a mixture of corner, edge, and face-sharing CoHf4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗