Materials Data on MnTlCl3 by Materials Project

Abstract

TlMnCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 12–16°. There are four shorter (2.55 Å) and two longer (2.56 Å) Mn–Cl bond lengths. Tl1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.28–3.99 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms.