Materials Data on Si2H6Se by Materials Project

Abstract

Si2H6Se is alpha Np structured and crystallizes in the tetragonal P4_32_12 space group. The structure is zero-dimensional and consists of eight disilaselenane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. In the second Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. There are six inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the sixth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. Se2- is bonded in an L-shaped geometry to two Si atoms.