Materials Data on AlSiP3 by Materials Project
AlSiP3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four aluminum molecules and two SiP3 ribbons oriented in the (1, 0, 0) direction. In each SiP3 ribbon, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.25–2.29 Å. There are two inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.
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