PrCoSb3 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 Co(1), one Sb(1), two equivalent Sb(2), two equivalent Sb(5), and four equivalent Sb(4) atoms. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(3), two equivalent Sb(2), two equivalent Sb(5), and four equivalent Sb(4) atoms. Co(1) is bonded in a 6-coordinate geometry to one Pr(1), one Pr(2), one Sb(2), one Sb(5), two equivalent Sb(1), and two equivalent Sb(3) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Pr(1), four equivalent Co(1), and one Sb(5) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Co(1) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Pr(2) and four equivalent Co(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and four equivalent Sb(4) atoms. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Co(1), and one Sb(1) atom.
PrCoSb3 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 Co(1), one Sb(1), two equivalent Sb(2), two equivalent Sb(5), and four equivalent Sb(4) atoms. Both Pr(1)-Co(1) bond lengths are 3.33 Å. The Pr(1)-Sb(1) bond length is 3.26 Å. Both Pr(1)-Sb(2) bond lengths are 3.24 Å. There is one shorter (3.28 Å) and one longer (3.36 Å) Pr(1)-Sb(5) bond length. There are two shorter (3.33 Å) and two longer (3.36 Å) Pr(1)-Sb(4) bond lengths. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(3), two equivalent Sb(2), two equivalent Sb(5), and four equivalent Sb(4) atoms. Both Pr(2)-Co(1) bond lengths are 3.56 Å. The Pr(2)-Sb(3) bond length is 3.49 Å. Both Pr(2)-Sb(2) bond lengths are 3.28 Å. Both Pr(2)-Sb(5) bond lengths are 3.25 Å. There are two shorter (3.36 Å) and two longer (3.38 Å) Pr(2)-Sb(4) bond lengths. Co(1) is bonded in a 6-coordinate geometry to one Pr(1), one Pr(2), one Sb(2), one Sb(5), two equivalent Sb(1), and two equivalent Sb(3) atoms. The Co(1)-Sb(2) bond length is 2.62 Å. The Co(1)-Sb(5) bond length is 2.63 Å. There is one shorter (2.58 Å) and one longer (2.62 Å) Co(1)-Sb(1) bond length. There is one shorter (2.60 Å) and one longer (2.65 Å) Co(1)-Sb(3) bond length. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Pr(1), four equivalent Co(1), and one Sb(5) atom. The Sb(1)-Sb(5) bond length is 3.12 Å. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Co(1) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Pr(2) and four equivalent Co(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and four equivalent Sb(4) atoms. There are a spread of Sb(4)-Sb(4) bond distances ranging from 3.03-3.11 Å. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Co(1), and one Sb(1) atom.