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Materials Data on ErCo3B2 by Materials Project

ErCo3B2 crystallizes in the hexagonal P6/mmm 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 2.87 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 Er3+ and six equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Er(CoB)2 by Materials Project

Er(CoB)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Er–B bond lengths are 2.84 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of corner and edge-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.01 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Er3+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Er4CoB13 by Materials Project

Er4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Er–B bond distances ranging from 2.55–2.89 Å. Co3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.15 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 Er3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.11 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Er3+ and three B+1.15- atoms. There is two shorter (1.78 Å) and one longer (1.87 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 Er3+, one Co3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.

36 MATERIALS SCIENCE↗

Materials Data on Er(Co2B)6 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on ErCoB4 by Materials Project

ErCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.57–2.70 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.18–2.29 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.69–1.73 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Co3+, and three B+1.50- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Er2Co7B3 by Materials Project

Er2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Er–Co bond lengths are 2.88 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Co, and six equivalent B atoms. Both Er–Er bond lengths are 3.06 Å. All Er–Co bond lengths are 2.90 Å. All Er–B bond lengths are 2.88 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to one Er, twelve Co, and six equivalent B atoms. There are six shorter (2.84 Å) and six longer (2.96 Å) Er–Co bond lengths. All Er–B 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 Er and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Er, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted square co-planar geometry to four Er and four B atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Er and six Co atoms.

36 MATERIALS SCIENCE↗