PrFeSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), one Sb(1), two equivalent Sb(2), two equivalent Sb(4), and four equivalent Sb(3) atoms. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to two equivalent Fe(1), one Sb(5), two equivalent Sb(2), two equivalent Sb(4), and four equivalent Sb(3) atoms. Fe(1) is bonded in a 6-coordinate geometry to one Pr(1), one Pr(2), one Sb(2), one Sb(4), two equivalent Sb(1), and two equivalent Sb(5) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Fe(1) atoms. In the second Sb site, Sb(5) is bonded in a 6-coordinate geometry to one Pr(2), four equivalent Fe(1), and one Sb(2) atom. In the third Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Pr(1) and four equivalent Fe(1) atoms. In the fourth Sb site, Sb(2) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Fe(1), and one Sb(5) atom. In the fifth Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and four equivalent Sb(3) atoms.
PrFeSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), one Sb(1), two equivalent Sb(2), two equivalent Sb(4), and four equivalent Sb(3) atoms. Both Pr(1)-Fe(1) bond lengths are 3.54 Å. The Pr(1)-Sb(1) bond length is 3.47 Å. Both Pr(1)-Sb(2) bond lengths are 3.24 Å. Both Pr(1)-Sb(4) bond lengths are 3.27 Å. There are two shorter (3.38 Å) and two longer (3.40 Å) Pr(1)-Sb(3) bond lengths. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to two equivalent Fe(1), one Sb(5), two equivalent Sb(2), two equivalent Sb(4), and four equivalent Sb(3) atoms. Both Pr(2)-Fe(1) bond lengths are 3.32 Å. The Pr(2)-Sb(5) bond length is 3.25 Å. There is one shorter (3.25 Å) and one longer (3.36 Å) Pr(2)-Sb(2) bond length. Both Pr(2)-Sb(4) bond lengths are 3.26 Å. There are two shorter (3.33 Å) and two longer (3.36 Å) Pr(2)-Sb(3) bond lengths. Fe(1) is bonded in a 6-coordinate geometry to one Pr(1), one Pr(2), one Sb(2), one Sb(4), two equivalent Sb(1), and two equivalent Sb(5) atoms. The Fe(1)-Sb(2) bond length is 2.60 Å. The Fe(1)-Sb(4) bond length is 2.61 Å. There is one shorter (2.61 Å) and one longer (2.69 Å) Fe(1)-Sb(1) bond length. There is one shorter (2.60 Å) and one longer (2.61 Å) Fe(1)-Sb(5) bond length. There are five inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Fe(1) atoms. In the second Sb site, Sb(5) is bonded in a 6-coordinate geometry to one Pr(2), four equivalent Fe(1), and one Sb(2) atom. The Sb(5)-Sb(2) bond length is 3.10 Å. In the third Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Pr(1) and four equivalent Fe(1) atoms. In the fourth Sb site, Sb(2) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Fe(1), and one Sb(5) atom. In the fifth Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and four equivalent Sb(3) atoms. There are a spread of Sb(3)-Sb(3) bond distances ranging from 3.02-3.09 Å.