Materials Data on NaTmCl4 by Materials Project
NaTmCl4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Na1+ is bonded to six Cl1- atoms to form NaCl6 octahedra that share corners with eight equivalent TmCl6 octahedra and edges with two equivalent NaCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Na–Cl bond distances ranging from 2.80–2.96 Å. Tm3+ is bonded to six Cl1- atoms to form TmCl6 octahedra that share corners with eight equivalent NaCl6 octahedra and edges with two equivalent TmCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Tm–Cl bond distances ranging from 2.53–2.72 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Tm3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Tm3+ atom.