Materials Data on BaGdCl5 by Materials Project
BaGdCl5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Ba–Cl bond distances ranging from 3.23–3.58 Å. Gd3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Gd–Cl bond distances ranging from 2.76–2.95 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Gd3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Gd3+ atoms. In the third Cl1- site, Cl1- is bonded to three equivalent Ba2+ and one Gd3+ atom to form a mixture of distorted edge and corner-sharing ClBa3Gd tetrahedra.