Materials Data on ErSCl by Materials Project

ErSCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErSCl sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent S2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing ErS4Cl2 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two shorter (2.70 Å) and two longer (2.73 Å) Er–S bond lengths. Both Er–Cl bond lengths are 2.65 Å. S2- is bonded in a rectangular see-saw-like geometry to four equivalent Er3+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.