HoNi4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) atoms. In the second Ho site, Ho(2) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Ho(2), two equivalent Ni(2), and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Ho(1) and six equivalent Ni(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Ho(2) and six equivalent Ni(1) atoms.
HoNi4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(2) atoms. All Ho(1)-Ni(2) bond lengths are 2.84 Å. In the second Ho site, Ho(2) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. All Ho(2)-Ni(1) bond lengths are 2.85 Å. All Ho(2)-B(1) bond lengths are 2.84 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Ho(2), two equivalent Ni(2), and two equivalent B(1) atoms. Both Ni(1)-Ni(2) bond lengths are 2.46 Å. Both Ni(1)-B(1) bond lengths are 2.02 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Ho(1) and six equivalent Ni(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Ho(2) and six equivalent Ni(1) atoms.