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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Co21(B3Sb)2 by Materials Project

Co(Co10B3Sb)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four cobalt molecules and one Co10B3Sb framework. In the Co10B3Sb framework, there are two inequivalent Co+1.14+ sites. In the first Co+1.14+ site, Co+1.14+ is bonded to three equivalent B3- and one Sb3- atom to form a mixture of corner and edge-sharing CoB3Sb tetrahedra. All Co–B bond lengths are 2.07 Å. The Co–Sb bond length is 2.44 Å. In the second Co+1.14+ site, Co+1.14+ is bonded in a bent 150 degrees geometry to two equivalent B3- atoms. Both Co–B bond lengths are 2.10 Å. B3- is bonded in a 8-coordinate geometry to eight Co+1.14+ atoms. Sb3- is bonded in a distorted tetrahedral geometry to four equivalent Co+1.14+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co22B6Sb by Materials Project

Co22B6Sb crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Co–Co bond lengths are 2.39 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to one Co and three equivalent B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a 2-coordinate geometry to two equivalent B and one Sb atom. Both Co–B bond lengths are 2.14 Å. The Co–Sb bond length is 2.57 Å. B is bonded in a 8-coordinate geometry to eight Co atoms. Sb is bonded in a cuboctahedral geometry to twelve equivalent Co atoms.

36 MATERIALS SCIENCE↗