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HoCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Ho–B bond lengths are 2.88 Å. Co1+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.09 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ho3+ and six equivalent Co1+ atoms.
HoCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Ho–B bond lengths are 2.87 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.01 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Ho3+ and four equivalent Co+1.50+ atoms.
Ho2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to two equivalent Ho, twelve equivalent Co, and six equivalent B atoms. Both Ho–Ho bond lengths are 3.06 Å. All Ho–Co bond lengths are 2.91 Å. All Ho–B bond lengths are 2.89 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to one Ho, twelve Co, and six equivalent B atoms. There are six shorter (2.85 Å) and six longer (2.95 Å) Ho–Co bond lengths. All Ho–B bond lengths are 2.89 Å. In the third Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Ho–Co bond lengths are 2.89 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Co atoms. All Co–Co bond lengths are 2.44 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four Ho and four B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Ho, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Co atoms.