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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Al6GeW by Materials Project

WAl6Ge crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. W is bonded to twelve equivalent Al atoms to form WAl12 cuboctahedra that share edges with six equivalent WAl12 cuboctahedra and faces with eight equivalent GeAl12 cuboctahedra. All W–Al bond lengths are 2.80 Å. Al is bonded in a 6-coordinate geometry to two equivalent W, two equivalent Al, and two equivalent Ge atoms. There are one shorter (2.47 Å) and one longer (2.56 Å) Al–Al bond lengths. Both Al–Ge bond lengths are 2.82 Å. Ge is bonded to twelve equivalent Al atoms to form GeAl12 cuboctahedra that share edges with six equivalent GeAl12 cuboctahedra and faces with eight equivalent WAl12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al4Ge2W3 by Materials Project

W3Al4Ge2 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 10-coordinate geometry to six Al and four equivalent Ge atoms. There are a spread of W–Al bond distances ranging from 2.64–2.87 Å. There are a spread of W–Ge bond distances ranging from 2.63–2.81 Å. In the second W site, W is bonded in a distorted q6 geometry to eight Al and two equivalent Ge atoms. There are a spread of W–Al bond distances ranging from 2.65–2.82 Å. Both W–Ge bond lengths are 2.61 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to five W and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.81 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to five W, one Al, and four equivalent Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.66–2.85 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to five W, three equivalent Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.63 Å. Ge is bonded in a 10-coordinate geometry to five W and five Al atoms.

36 MATERIALS SCIENCE↗