Materials Data on C4SeO2 by Materials Project
C4SeO2 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two C4SeO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a 1-coordinate geometry to one C+1.50+ and one Se2- atom. The C–C bond length is 1.39 Å. The C–Se bond length is 1.88 Å. In the second C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.21 Å. Se2- is bonded in a 4-coordinate geometry to two equivalent C+1.50+ and four equivalent O2- atoms. There are two shorter (3.34 Å) and two longer (3.54 Å) Se–O bond lengths. O2- is bonded in a single-bond geometry to one C+1.50+ and two equivalent Se2- atoms.