Materials Data on Dy3FeB7 by Materials Project

Abstract

Dy3FeB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Dy–B bond distances ranging from 2.61–2.71 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Dy–B bond distances ranging from 2.63–2.67 Å. Fe is bonded in a 10-coordinate geometry to ten B atoms. All Fe–B bond lengths are 2.27 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Dy and three B atoms. There is one shorter (1.90 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 Dy, two equivalent Fe, 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 Dy, two equivalent Fe, and three B atoms. There is one shorter (1.71 Å) and one longer (1.96 Å) B–B bond length. In the fourth B site, B is bonded in a 2-coordinate geometry to four equivalent Dy, two equivalent Fe, and two equivalent B atoms.