Materials Data on TaMnSi by Materials Project

Abstract

TaMnSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to five Si atoms. There are four shorter (2.60 Å) and one longer (2.63 Å) Ta–Si bond lengths. Mn is bonded in a 4-coordinate geometry to four Si atoms. There are two shorter (2.35 Å) and two longer (2.46 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 three equivalent Ta and six equivalent Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ta and three equivalent Mn atoms.