Materials Data on MnCd3F6 by Materials Project

Abstract

MnCd2F4CdF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one cadmium fluoride molecule and one MnCd2F4 sheet oriented in the (0, 0, 1) direction. In the MnCd2F4 sheet, Mn is bonded in a square co-planar geometry to four F atoms. All Mn–F bond lengths are 2.03 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a linear geometry to two equivalent F atoms. Both Cd–F bond lengths are 2.27 Å. In the second Cd site, Cd is bonded in a linear geometry to two equivalent F atoms. Both Cd–F bond lengths are 2.27 Å. There are two inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Mn and one Cd atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Mn and one Cd atom.