Materials Data on Tm7Cl15 by Materials Project

Abstract

Tm7Cl15 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Tm–Cl bond distances ranging from 2.64–3.17 Å. In the second Tm site, Tm is bonded to seven Cl atoms to form a mixture of distorted edge and corner-sharing TmCl7 pentagonal bipyramids. There are a spread of Tm–Cl bond distances ranging from 2.66–2.87 Å. In the third Tm site, Tm is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Tm–Cl bond distances ranging from 2.61–2.91 Å. In the fourth Tm site, Tm is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Tm–Cl bond distances ranging from 2.59–3.18 Å. There are eight inequivalent Cl sites. In the first Cl site, Cl is bonded in a trigonal planar geometry to three Tm atoms. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two equivalent Tm atoms. In the third Cl site, Cl is bonded to four Tm atoms to form a mixture of distorted edge and corner-sharing ClTm4 tetrahedra. In the fourth Cl site, Cl is bonded in a 3-coordinate geometry to three Tm atoms. In the fifth Cl site, Cl is bonded in a 4-coordinate geometry to four Tm atoms. In the sixth Cl site, Cl is bonded to four Tm atoms to form distorted edge-sharing ClTm4 trigonal pyramids. In the seventh Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tm atoms. In the eighth Cl site, Cl is bonded in a 3-coordinate geometry to three Tm atoms.