NdGaSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Nd(1) is bonded to six Ga(1,1) and six Si(1,1) atoms to form a mixture of face and edge-sharing NdGa6Si6 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Si(1,1) atoms. In the second Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Si(1,1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Ga(1,1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Ga(1,1) atoms. In the third Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Ga(1) atoms.
NdGaSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Nd(1) is bonded to six Ga(1,1) and six Si(1,1) atoms to form a mixture of face and edge-sharing NdGa6Si6 cuboctahedra. There are two shorter (3.17 Å) and four longer (3.21 Å) Nd(1)-Ga(1,1) bond lengths. There are two shorter (3.17 Å) and four longer (3.21 Å) Nd(1)-Si(1,1) bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Si(1,1) atoms. There is one shorter (2.37 Å) and two longer (2.42 Å) Ga(1)-Si(1,1) bond lengths. In the second Ga site, Ga(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Si(1,1) atoms. There is one shorter (2.37 Å) and two longer (2.42 Å) Ga(1)-Si(1,1) bond lengths. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Ga(1,1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three Ga(1,1) atoms. In the third Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Ga(1) atoms. There are two shorter (3.17 Å) and four longer (3.21 Å) Si(1)-Nd(1) bond lengths. There is one shorter (2.37 Å) and two longer (2.42 Å) Si(1)-Ga(1) bond lengths.