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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb4CoB13 by Materials Project

Tb4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tb+3.25+ is bonded in a 6-coordinate geometry to one Co2+ and fifteen B+1.15- atoms. The Tb–Co bond length is 2.70 Å. There are a spread of Tb–B bond distances ranging from 2.59–2.92 Å. Co2+ is bonded in a 12-coordinate geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.18 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Tb+3.25+, one Co2+, and four B+1.15- atoms. There is three shorter (1.80 Å) and one longer (2.13 Å) B–B bond length. In the second B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. In the third B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Tb+3.25+ and three B+1.15- atoms. The B–B bond length is 1.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCo3B2 by Materials Project

TbCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Tb–B bond lengths are 2.89 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 Tb3+ and six equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(CoB)2 by Materials Project

TbCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Tb–B bond lengths are 2.90 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Tb3+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Co14B by Materials Project

Tb2Co14B crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to sixteen Co and two equivalent B atoms. There are a spread of Tb–Co bond distances ranging from 2.92–3.19 Å. Both Tb–B bond lengths are 3.10 Å. In the second Tb site, Tb is bonded in a 11-coordinate geometry to sixteen Co and one B atom. There are a spread of Tb–Co bond distances ranging from 2.93–3.28 Å. The Tb–B bond length is 2.80 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to two Tb and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.32–2.57 Å. In the second Co site, Co is bonded to four Tb and eight Co atoms to form a mixture of face and corner-sharing CoTb4Co8 cuboctahedra. All Co–Co bond lengths are 2.49 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Tb, four Co, and two equivalent B atoms. There are two shorter (2.43 Å) and two longer (2.68 Å) Co–Co bond lengths. Both Co–B bond lengths are 2.02 Å. In the fourth Co site, Co is bonded in a 2-coordinate geometry to two Tb and twelve Co atoms. There are a spread of Co–Co bond distances ranging from 2.58–2.72 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to two Tb, seven Co, and one B atom. The Co–Co bond length is 2.53 Å. The Co–B bond length is 2.03 Å. In the sixth Co site, Co is bonded to three Tb and nine Co atoms to form distorted CoTb3Co9 cuboctahedra that share corners with fourteen CoTb2Co10 cuboctahedra, edges with three CoTb3Co9 cuboctahedra, and faces with twelve CoTb2Co10 cuboctahedra. The Co–Co bond length is 2.38 Å. B is bonded in a 6-coordinate geometry to three Tb and six Co atoms.

36 MATERIALS SCIENCE↗