CeNiSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six Ni(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeSi6Ni6 cuboctahedra. In the second Ce site, Ce(1) is bonded to six Ni(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeSi6Ni6 cuboctahedra. In the third Ce site, Ce(1) is bonded to six Ni(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeSi6Ni6 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three equivalent Si(1) atoms. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three equivalent Si(1) atoms. In the third Ni site, Ni(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three Ni(1,1) atoms.
CeNiSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six Ni(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeSi6Ni6 cuboctahedra. There are two shorter (3.03 Å) and four longer (3.11 Å) Ce(1)-Ni(1,1) bond lengths. There are four shorter (3.07 Å) and two longer (3.10 Å) Ce(1)-Si(1) bond lengths. In the second Ce site, Ce(1) is bonded to six Ni(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeSi6Ni6 cuboctahedra. There are two shorter (3.03 Å) and four longer (3.11 Å) Ce(1)-Ni(1,1) bond lengths. There are four shorter (3.07 Å) and two longer (3.10 Å) Ce(1)-Si(1) bond lengths. In the third Ce site, Ce(1) is bonded to six Ni(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing CeSi6Ni6 cuboctahedra. There are two shorter (3.03 Å) and four longer (3.11 Å) Ce(1)-Ni(1,1) bond lengths. There are four shorter (3.07 Å) and two longer (3.10 Å) Ce(1)-Si(1) bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three equivalent Si(1) atoms. There are two shorter (2.31 Å) and one longer (2.34 Å) Ni(1)-Si(1) bond length. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three equivalent Si(1) atoms. There are two shorter (2.31 Å) and one longer (2.34 Å) Ni(1)-Si(1) bond length. In the third Ni site, Ni(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three equivalent Si(1) atoms. Both Ni(1)-Ce(1) bond lengths are 3.03 Å. There are two shorter (2.31 Å) and one longer (2.34 Å) Ni(1)-Si(1) bond length. Si(1) is bonded in a 9-coordinate geometry to six Ce(1,1) and three Ni(1,1) atoms.