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Materials Data on DyCo3B2 by Materials Project

DyCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Dy–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 Dy3+ and six equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Dy(CoB)2 by Materials Project

DyCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Dy–B bond lengths are 2.88 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Dy3+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Dy2Co7B3 by Materials Project

Dy2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to one Dy, twelve Co, and six equivalent B atoms. The Dy–Dy bond length is 3.07 Å. There are six shorter (2.85 Å) and six longer (2.96 Å) Dy–Co bond lengths. All Dy–B bond lengths are 2.90 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Dy, twelve equivalent Co, and six equivalent B atoms. All Dy–Co bond lengths are 2.91 Å. All Dy–B bond lengths are 2.89 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Dy–Co bond lengths are 2.89 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted square co-planar geometry to four Dy and four B atoms. All Co–B bond lengths are 2.07 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.45 Å. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Co atoms. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Dy and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Co atoms.

36 MATERIALS SCIENCE↗

Materials Data on Dy4CoB13 by Materials Project

Dy4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Dy–B bond distances ranging from 2.57–2.90 Å. Co3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.16 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Dy3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.13 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Dy3+ and three B+1.15- atoms. There is two shorter (1.78 Å) and one longer (1.89 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Dy3+, one Co3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.

36 MATERIALS SCIENCE↗