Materials Data on Dy3MnB7 by Materials Project

Abstract

Dy3MnB7 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 10-coordinate geometry to ten B atoms. There are a spread of Dy–B bond distances ranging from 2.60–2.68 Å. In the second 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 2.61–2.74 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are two shorter (2.26 Å) and eight longer (2.28 Å) Mn–B bond lengths. There are four inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to four equivalent Dy, two equivalent Mn, and two equivalent B atoms. Both B–B bond lengths are 1.71 Å. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Dy, two equivalent Mn, and three B atoms. There is one shorter (1.78 Å) and one longer (1.95 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four Dy, two equivalent Mn, and three B atoms. There is one shorter (1.80 Å) and one longer (1.90 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to six Dy and three B atoms. Both B–B bond lengths are 1.96 Å.