Materials Data on PrAlSi2 by Materials Project
PrAlSi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Pr–Si bond distances ranging from 3.11–3.19 Å. Al is bonded to four equivalent Si atoms to form a mixture of edge and corner-sharing AlSi4 tetrahedra. There are three shorter (2.51 Å) and one longer (2.56 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Pr and four equivalent Al atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Si atoms. All Si–Si bond lengths are 2.42 Å.
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