Materials Data on BaMnSi2 by Materials Project

Abstract

BaMnSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to one Mn and nine Si atoms. The Ba–Mn bond length is 3.31 Å. There are a spread of Ba–Si bond distances ranging from 3.39–3.74 Å. Mn is bonded in a 5-coordinate geometry to one Ba and four Si atoms. There are two shorter (2.15 Å) and two longer (2.23 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Mn atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to five equivalent Ba and two equivalent Mn atoms.