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Materials Data on Y(Co2B)6 by Materials Project

YCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Y–B bond lengths are 3.04 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 2.10 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.03 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Y3+ and seven Co+1.25+ atoms.

36 MATERIALS SCIENCE↗