Materials Data on Mn4BiSb3 by Materials Project

Abstract

Mn4Sb3Bi crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one bismuth molecule and one Mn4Sb3 framework. In the Mn4Sb3 framework, there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted see-saw-like geometry to four Sb3- atoms. There are a spread of Mn–Sb bond distances ranging from 2.74–2.81 Å. In the second Mn2+ site, Mn2+ is bonded to five Sb3- atoms to form a mixture of distorted edge, corner, and face-sharing MnSb5 square pyramids. There are a spread of Mn–Sb bond distances ranging from 2.74–2.80 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Mn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Mn2+ atoms. In the third Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Mn2+ atoms.