Materials Data on B5W2 by Materials Project

Abstract

W2B5 is Tungsten boride structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W+4.50+ is bonded in a 10-coordinate geometry to thirteen B+1.80- atoms. There are a spread of W–B bond distances ranging from 2.31–2.63 Å. There are four inequivalent B+1.80- sites. In the first B+1.80- site, B+1.80- is bonded in a 10-coordinate geometry to four equivalent W+4.50+ and six B+1.80- atoms. There is three shorter (1.83 Å) and three longer (1.95 Å) B–B bond length. In the second B+1.80- site, B+1.80- is bonded to six equivalent W+4.50+ and six equivalent B+1.80- atoms to form distorted face-sharing BB6W6 cuboctahedra. In the third B+1.80- site, B+1.80- is bonded in a 9-coordinate geometry to six equivalent W+4.50+ and three equivalent B+1.80- atoms. All B–B bond lengths are 1.79 Å. In the fourth B+1.80- site, B+1.80- is bonded in a 9-coordinate geometry to six equivalent W+4.50+ and three equivalent B+1.80- atoms.