Materials Data on Ho3MnB7 by Materials Project

Abstract

Ho3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Ho–B bond distances ranging from 2.60–2.71 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Ho–B bond distances ranging from 2.59–2.66 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are two shorter (2.26 Å) and eight longer (2.27 Å) Mn–B bond lengths. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Ho and three B atoms. There is one shorter (1.88 Å) and two longer (1.95 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Ho, two equivalent Mn, and three B atoms. There is one shorter (1.77 Å) and one longer (1.80 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Ho, two equivalent Mn, and three B atoms. There is one shorter (1.71 Å) and one longer (1.94 Å) B–B bond length. In the fourth B site, B is bonded in a 8-coordinate geometry to four equivalent Ho, two equivalent Mn, and two equivalent B atoms.