Materials Data on Si3NiP4 by Materials Project
NiSi3P4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two nickel molecules and one Si3P4 framework. In the Si3P4 framework, there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.27 Å. P+2.50+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.
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