Materials Data on P(H3C)3 by Materials Project

Abstract

P(CH3)3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight trimethylphosphine molecules. there are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one P5+ and three H+0.78+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.86 Å. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one P5+ and three H+0.78+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.85 Å. All C–H bond lengths are 1.10 Å. P5+ is bonded in a distorted trigonal non-coplanar geometry to three C4- atoms. There are five inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom.