Nb4CrSi3 crystallizes in the tetragonal I4/mcm space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(2) atoms.
Nb4CrSi3 crystallizes in the tetragonal I4/mcm space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. Both Nb(1)-Si(2) bond lengths are 2.64 Å. There are a spread of Nb(1)-Si(1) bond distances ranging from 2.64-2.87 Å. Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Si(1) atoms. Both Cr(1)-Cr(1) bond lengths are 2.48 Å. All Cr(1)-Si(1) bond lengths are 2.49 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(2) atoms. Both Si(2)-Si(2) bond lengths are 2.48 Å.