Materials Data on BiSBr by Materials Project
BiSBr crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSBr ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent S2- and two equivalent Br1- atoms to form distorted edge-sharing BiS3Br2 square pyramids. There are one shorter (2.62 Å) and two longer (2.76 Å) Bi–S bond lengths. Both Bi–Br bond lengths are 3.04 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. Br1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.
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