Materials Data on Mn4InSb3 by Materials Project

Mn4Sb3In crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one indium molecule and one Mn4Sb3 sheet oriented in the (0, 0, 1) direction. In the Mn4Sb3 sheet, there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 3-coordinate geometry to three equivalent Sb3- atoms. All Mn–Sb bond lengths are 2.71 Å. In the second Mn2+ site, Mn2+ is bonded to six Sb3- atoms to form a mixture of face, edge, and corner-sharing MnSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (2.73 Å) and three longer (2.75 Å) Mn–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Mn2+ atoms.