DOE OSTI2018
Al4Nd crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to fourteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.22–3.48 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to fourteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.26–3.54 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.54–2.67 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. There are two shorter (2.64 Å) and two longer (2.67 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four Nd and four Al atoms. Both Al–Al bond lengths are 2.65 Å. In the fourth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd and eight Al atoms. There are two shorter (2.66 Å) and four longer (2.94 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two Nd and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–3.01 Å. In the sixth Al site, Al is bonded in a 9-coordinate geometry to four Nd and five Al atoms. There are one shorter (2.53 Å) and two longer (2.66 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 9-coordinate geometry to four Nd and five Al atoms. The Al–Al bond length is 2.65 Å. In the eighth Al site, Al is bonded in a 12-coordinate geometry to four Nd and six Al atoms.