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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlCu4 by Materials Project

AlCu4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to nine Cu and three equivalent Al atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–2.67 Å. There are a spread of Cu–Al bond distances ranging from 2.56–2.68 Å. In the second Cu site, Cu is bonded in a 3-coordinate geometry to nine equivalent Cu and three equivalent Al atoms. All Cu–Al bond lengths are 2.36 Å. Al is bonded to twelve Cu atoms to form a mixture of distorted corner and face-sharing AlCu12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2Cu by Materials Project

Al2Cu is Fluorite structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Cu–Al bond lengths are 2.50 Å. Al is bonded to four equivalent Cu atoms to form a mixture of corner and edge-sharing AlCu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2Al2Cu by Materials Project

Mn2CuAl2 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two Mn2CuAl2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Mn–Mn bond lengths are 2.32 Å. All Mn–Al bond lengths are 2.53 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Cu atoms. All Mn–Cu bond lengths are 2.61 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Cu–Al bond lengths are 2.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Cu atoms to form a mixture of distorted edge and corner-sharing AlCu4 cuboctahedra. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Mn atoms.

36 MATERIALS SCIENCE↗