Pr2FeSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded to three equivalent Fe(1), three equivalent Si(1), three equivalent Si(2), and three equivalent Si(3) atoms to form a mixture of face and edge-sharing PrFe3Si9 cuboctahedra. Fe(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Fe(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms.
Pr2FeSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded to three equivalent Fe(1), three equivalent Si(1), three equivalent Si(2), and three equivalent Si(3) atoms to form a mixture of face and edge-sharing PrFe3Si9 cuboctahedra. All Pr(1)-Fe(1) bond lengths are 3.16 Å. All Pr(1)-Si(1) bond lengths are 3.24 Å. All Pr(1)-Si(2) bond lengths are 3.16 Å. All Pr(1)-Si(3) bond lengths are 3.24 Å. Fe(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(2) atoms. All Fe(1)-Si(2) bond lengths are 2.34 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(3) atoms. All Si(1)-Si(3) bond lengths are 2.34 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Fe(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms.