Materials Data on Si2NiP3 by Materials Project
NiSi2P3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of two nickel molecules and one Si2P3 framework. In the Si2P3 framework, Si4- is bonded to four P+2.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.26–2.29 Å. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. In the second P+2.33+ site, P+2.33+ is bonded in a trigonal non-coplanar geometry to three equivalent Si4- atoms.
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