CrNbSi crystallizes in the hexagonal P-62m space group. Nb(1) is bonded in a 11-coordinate geometry to six equivalent Cr(1), one Si(1), and four equivalent Si(2) atoms. Cr(1) is bonded in a 4-coordinate geometry to six equivalent Nb(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Nb(1) and six equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Nb(1) and three equivalent Cr(1) atoms.
CrNbSi crystallizes in the hexagonal P-62m space group. Nb(1) is bonded in a 11-coordinate geometry to six equivalent Cr(1), one Si(1), and four equivalent Si(2) atoms. There are two shorter (2.82 Å) and four longer (2.88 Å) Nb(1)-Cr(1) bond lengths. The Nb(1)-Si(1) bond length is 2.69 Å. All Nb(1)-Si(2) bond lengths are 2.62 Å. Cr(1) is bonded in a 4-coordinate geometry to six equivalent Nb(1), two equivalent Si(1), and two equivalent Si(2) atoms. Both Cr(1)-Si(1) bond lengths are 2.37 Å. Both Cr(1)-Si(2) bond lengths are 2.52 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Nb(1) and six equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Nb(1) and three equivalent Cr(1) atoms.