Pr2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 20-coordinate geometry to one Pr(2), one Pr(3), six equivalent Co(1), six equivalent Co(2), and six equivalent B(1) atoms. In the second Pr site, Pr(2) is bonded in a 20-coordinate geometry to two equivalent Pr(1), twelve equivalent Co(2), and six equivalent B(2) atoms. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to two equivalent Pr(1) and six equivalent Co(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Pr(1), two equivalent Co(3), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Pr(3) and six equivalent Co(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Pr(1), three equivalent Co(1), and three equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Pr(2) and six equivalent Co(2) atoms.
Pr2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 20-coordinate geometry to one Pr(2), one Pr(3), six equivalent Co(1), six equivalent Co(2), and six equivalent B(1) atoms. The Pr(1)-Pr(2) bond length is 3.06 Å. The Pr(1)-Pr(3) bond length is 3.31 Å. All Pr(1)-Co(1) bond lengths are 2.89 Å. All Pr(1)-Co(2) bond lengths are 3.03 Å. All Pr(1)-B(1) bond lengths are 2.98 Å. In the second Pr site, Pr(2) is bonded in a 20-coordinate geometry to two equivalent Pr(1), twelve equivalent Co(2), and six equivalent B(2) atoms. All Pr(2)-Co(2) bond lengths are 2.96 Å. All Pr(2)-B(2) bond lengths are 2.97 Å. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to two equivalent Pr(1) and six equivalent Co(3) atoms. All Pr(3)-Co(3) bond lengths are 2.97 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Pr(1), two equivalent Co(3), and two equivalent B(1) atoms. Both Co(1)-Co(3) bond lengths are 2.49 Å. Both Co(1)-B(1) bond lengths are 2.06 Å. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent B(1), and two equivalent B(2) atoms. Both Co(2)-B(1) bond lengths are 2.10 Å. Both Co(2)-B(2) bond lengths are 2.09 Å. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Pr(3) and six equivalent Co(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Pr(1), three equivalent Co(1), and three equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Pr(2) and six equivalent Co(2) atoms.