Materials Data on RbBSe3 by Materials Project
RbBSe3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BSe3 ribbons oriented in the (1, 0, 0) direction. In each BSe3 ribbon, B3- is bonded to four Se+0.67+ atoms to form corner-sharing BSe4 tetrahedra. There are two shorter (2.06 Å) and two longer (2.09 Å) B–Se bond lengths. There are three inequivalent Se+0.67+ sites. In the first Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second Se+0.67+ site, Se+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom.
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