Materials Data on Co3(ReB)4 by Materials Project

Abstract

Co3(ReB)4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Re–B bond distances ranging from 2.30–2.39 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four equivalent B atoms. All Co–B bond lengths are 2.23 Å. In the second Co site, Co is bonded in a square co-planar geometry to four equivalent B atoms. All Co–B bond lengths are 2.11 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six equivalent Re, two equivalent Co, and one B atom. The B–B bond length is 1.84 Å. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Re, four equivalent Co, and one B atom. The B–B bond length is 1.99 Å.