Materials Data on Y3MnB7 by Materials Project
Y3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.73 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.68 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.29 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Y and three B atoms. There is one shorter (1.90 Å) and two longer (1.96 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Y, two equivalent Mn, and three B atoms. There is one shorter (1.78 Å) and one longer (1.81 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Y, two equivalent Mn, and three B atoms. There is one shorter (1.72 Å) and one longer (1.96 Å) B–B bond length. In the fourth B site, B is bonded in a 8-coordinate geometry to four equivalent Y, two equivalent Mn, and two equivalent B atoms.