Cr5BSi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1) and six equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent Si(1) atoms. B(1) is bonded to six equivalent Cr(2) atoms to form face-sharing BCr6 octahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Cr(1) and five equivalent Cr(2) atoms.
Cr5BSi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1) and six equivalent Si(1) atoms. Both Cr(1)-Cr(1) bond lengths are 2.35 Å. All Cr(1)-Si(1) bond lengths are 2.44 Å. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent Si(1) atoms. Both Cr(2)-B(1) bond lengths are 2.09 Å. There are a spread of Cr(2)-Si(1) bond distances ranging from 2.46-2.59 Å. B(1) is bonded to six equivalent Cr(2) atoms to form face-sharing BCr6 octahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Cr(1) and five equivalent Cr(2) atoms.