Materials Data on Fe4CoB2P by Materials Project

Abstract

Fe4CoB2P crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe2+ is bonded to three equivalent B3- and two equivalent P3- atoms to form a mixture of distorted face, edge, and corner-sharing FeB3P2 trigonal bipyramids. There are two shorter (2.15 Å) and one longer (2.16 Å) Fe–B bond lengths. Both Fe–P bond lengths are 2.30 Å. Co1+ is bonded in a distorted square co-planar geometry to four equivalent B3- and two equivalent P3- atoms. All Co–B bond lengths are 2.13 Å. Both Co–P bond lengths are 2.62 Å. B3- is bonded in a 9-coordinate geometry to six equivalent Fe2+, two equivalent Co1+, and one B3- atom. The B–B bond length is 1.84 Å. P3- is bonded in a 10-coordinate geometry to eight equivalent Fe2+ and two equivalent Co1+ atoms.