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Co2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Co+1.50+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.13 Å. B3- is bonded in a 10-coordinate geometry to eight equivalent Co+1.50+ and two equivalent B3- atoms. Both B–B bond lengths are 2.13 Å.
Tm(Co2B)6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Tm–B bond lengths are 3.03 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Tm3+ and seven Co+1.25+ atoms.
Ho(Co2B)6 crystallizes in the trigonal R-3m 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 3.03 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are one shorter (2.10 Å) and two longer (2.11 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Ho3+ and seven Co+1.25+ atoms.
GdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Gd–B bond lengths are 3.04 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.04 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are one shorter (2.09 Å) and two longer (2.10 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Gd3+ and seven Co+1.25+ atoms.
LaCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All La–B bond lengths are 3.09 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.09 Å) and one longer (2.11 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.04 Å) and two longer (2.05 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one La3+ and seven Co+1.25+ atoms.
CeCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Ce–B bond lengths are 3.07 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.09 Å) and one longer (2.12 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.03 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Ce3+ and seven Co+1.25+ atoms.
NdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Nd–B bond lengths are 3.05 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. All Co–B bond lengths are 2.04 Å. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. B3- is bonded in a 7-coordinate geometry to one Nd3+ and seven Co+1.25+ atoms.
ErCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Er–B bond lengths are 3.02 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.11 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Er3+ and seven Co+1.25+ atoms.
PrCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Pr–B bond lengths are 3.06 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. All Co–B bond lengths are 2.04 Å. B3- is bonded in a 7-coordinate geometry to one Pr3+ and seven Co+1.25+ atoms.
SmCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Sm–B bond lengths are 3.05 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.03 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Sm3+ and seven Co+1.25+ atoms.
YCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Y–B bond lengths are 3.04 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.03 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Y3+ and seven Co+1.25+ atoms.