Materials Data on LaMnSi2 by Materials Project

Abstract

LaMnSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to four equivalent Mn and ten Si atoms. There are two shorter (3.29 Å) and two longer (3.35 Å) La–Mn bond lengths. There are a spread of La–Si bond distances ranging from 3.12–3.23 Å. Mn is bonded to four equivalent La and four equivalent Si atoms to form a mixture of distorted edge and face-sharing MnLa4Si4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.42 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Mn, and one Si atom. The Si–Si bond length is 2.54 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three Si atoms. Both Si–Si bond lengths are 2.39 Å.