Materials Data on Dy5Cl11 by Materials Project

Abstract

Dy5Cl11 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded to seven Cl atoms to form a mixture of distorted edge and corner-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.69–2.94 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Dy–Cl bond distances ranging from 2.65–3.05 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Dy–Cl bond distances ranging from 2.63–2.97 Å. In the fourth Dy site, Dy is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Dy–Cl bond distances ranging from 2.64–3.09 Å. In the fifth Dy site, Dy is bonded to seven Cl atoms to form a mixture of distorted edge and corner-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.68–2.86 Å. In the sixth Dy site, Dy is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Dy–Cl bond distances ranging from 2.64–3.00 Å. There are twelve inequivalent Cl sites. In the first Cl site, Cl is bonded to four Dy atoms to form a mixture of edge and corner-sharing ClDy4 tetrahedra. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to three Dy atoms. In the third Cl site, Cl is bonded in a 3-coordinate geometry to three Dy atoms. In the fourth Cl site, Cl is bonded in a bent 120 degrees geometry to two Dy atoms. In the fifth Cl site, Cl is bonded in a 3-coordinate geometry to three Dy atoms. In the sixth Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Dy atoms. In the seventh Cl site, Cl is bonded in a rectangular see-saw-like geometry to four Dy atoms. In the eighth Cl site, Cl is bonded to four Dy atoms to form a mixture of distorted edge and corner-sharing ClDy4 tetrahedra. In the ninth Cl site, Cl is bonded in a trigonal planar geometry to three Dy atoms. In the tenth Cl site, Cl is bonded in a bent 120 degrees geometry to two Dy atoms. In the eleventh Cl site, Cl is bonded in a trigonal planar geometry to three Dy atoms. In the twelfth Cl site, Cl is bonded in a rectangular see-saw-like geometry to four Dy atoms.