Materials Data on Sm6Mn23 by Materials Project

Abstract

Sm6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Sm–Mn bond distances ranging from 2.94–3.14 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Sm and nine Mn atoms to form distorted MnSm3Mn9 cuboctahedra that share corners with twelve MnSm3Mn9 cuboctahedra and faces with twelve MnSm4Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.44–2.69 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.53 Å. In the third Mn site, Mn is bonded to four equivalent Sm and eight Mn atoms to form a mixture of face and corner-sharing MnSm4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.71 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Sm and ten Mn atoms. All Mn–Mn bond lengths are 2.92 Å.