NdAlSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Al(1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing NdAl6Si6 cuboctahedra. In the second Nd site, Nd(1) is bonded to six Al(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing NdAl6Si6 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Nd(1) and three equivalent Si(1) atoms. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to six Nd(1,1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six Nd(1,1) and three equivalent Al(1) atoms.
NdAlSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Al(1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing NdAl6Si6 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.23 Å) Nd(1)-Al(1) bond lengths. There are four shorter (3.22 Å) and two longer (3.23 Å) Nd(1)-Si(1) bond lengths. In the second Nd site, Nd(1) is bonded to six Al(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing NdAl6Si6 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.23 Å) Nd(1)-Al(1,1) bond lengths. There are four shorter (3.22 Å) and two longer (3.23 Å) Nd(1)-Si(1) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to six equivalent Nd(1) and three equivalent Si(1) atoms. There is one shorter (2.42 Å) and two longer (2.44 Å) Al(1)-Si(1) bond lengths. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to six Nd(1,1) and three equivalent Si(1) atoms. All Al(1)-Nd(1) bond lengths are 3.23 Å. There is one shorter (2.42 Å) and two longer (2.44 Å) Al(1)-Si(1) bond lengths. Si(1) is bonded in a distorted trigonal planar geometry to six Nd(1,1) and three equivalent Al(1) atoms.