Materials Data on Si(PH2)4 by Materials Project

Abstract

Si(PH2)4 is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 214424-22-3 molecules. Si4- is bonded in a tetrahedral geometry to four P1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Si–P bond lengths. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the second P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the third P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the fourth P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom.