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.