Materials Data on LaY(MnSi)2 by Materials Project

Abstract

LaY(MnSi)2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Mn, and five Si atoms. All La–Y bond lengths are 3.88 Å. All La–Mn bond lengths are 3.01 Å. There are four shorter (3.13 Å) and one longer (3.39 Å) La–Si bond lengths. Y is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Mn, and six Si atoms. All Y–Mn bond lengths are 2.88 Å. There are a spread of Y–Si bond distances ranging from 3.07–3.56 Å. Mn is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Y, and four Si atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to one La, four equivalent Y, and four equivalent Mn atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent La, two equivalent Y, and four equivalent Mn atoms.