Materials Data on BiSI by Materials Project
BiSI crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSI ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent S2- and two equivalent I1- atoms to form distorted edge-sharing BiS3I2 square pyramids. There are one shorter (2.61 Å) and two longer (2.78 Å) Bi–S bond lengths. Both Bi–I bond lengths are 3.22 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.
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