Materials Data on TbMnB4 by Materials Project

Abstract

TbMnB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tb4+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tb–B bond distances ranging from 2.60–2.72 Å. Mn2+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.25–2.29 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tb4+, two equivalent Mn2+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.85 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tb4+, two equivalent Mn2+, and three B+1.50- atoms. There is one shorter (1.73 Å) and one longer (1.80 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tb4+, four equivalent Mn2+, and three B+1.50- atoms. There is one shorter (1.69 Å) and one longer (1.73 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tb4+, two equivalent Mn2+, and three B+1.50- atoms.