Materials Data on ErSeI by Materials Project

ErSeI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErSeI sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent Se2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing ErSe4I2 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two shorter (2.83 Å) and two longer (2.85 Å) Er–Se bond lengths. Both Er–I bond lengths are 3.03 Å. Se2- is bonded in a rectangular see-saw-like geometry to four equivalent Er3+ atoms. I1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.