Materials Data on MnB4 by Materials Project

Abstract

MnB4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Mn–B bond distances ranging from 2.00–2.31 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to three equivalent Mn and four B atoms. There are a spread of B–B bond distances ranging from 1.69–1.85 Å. In the second B site, B is bonded in a 7-coordinate geometry to three equivalent Mn and four B atoms. There are a spread of B–B bond distances ranging from 1.73–1.89 Å. In the third B site, B is bonded in a 8-coordinate geometry to three equivalent Mn and five B atoms. The B–B bond length is 2.08 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to three equivalent Mn and five B atoms.