Materials Data on SbSI2 by Materials Project
SbSI2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two SbSI2 sheets oriented in the (0, 0, 1) direction. Sb2- is bonded to one S2- and three I2+ atoms to form corner-sharing SbSI3 tetrahedra. The Sb–S bond length is 2.34 Å. There are one shorter (2.87 Å) and two longer (3.02 Å) Sb–I bond lengths. S2- is bonded in a distorted L-shaped geometry to one Sb2- and one I2+ atom. The S–I bond length is 2.75 Å. There are two inequivalent I2+ sites. In the first I2+ site, I2+ is bonded in a bent 120 degrees geometry to two equivalent Sb2- atoms. In the second I2+ site, I2+ is bonded in a linear geometry to one Sb2- and one S2- atom.
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