Materials Data on MnB4W3 by Materials Project

W3MnB4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent W+3.33+ sites. In the first W+3.33+ site, W+3.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.32–2.55 Å. In the second W+3.33+ site, W+3.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.29–2.34 Å. In the third W+3.33+ site, W+3.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.33–2.54 Å. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.17–2.46 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six W+3.33+, one Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.85 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to five W+3.33+, two equivalent Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three W+3.33+, four equivalent Mn2+, and two equivalent B3- atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to seven W+3.33+ and two equivalent B3- atoms.