Hf2Co4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 14-coordinate geometry to two equivalent Co(2), two equivalent Co(4), four equivalent Co(1), two equivalent P(1), and four equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 13-coordinate geometry to two equivalent Co(1), two equivalent Co(2), four equivalent Co(3), one P(1), and four equivalent P(2) atoms. In the third Hf site, Hf(3) is bonded in a 15-coordinate geometry to three equivalent Co(1), six equivalent Co(3), and six equivalent P(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one P(1), one P(3), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent P(2), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent P(1), and two equivalent P(2) atoms. In the fourth Co site, Co(4) is bonded in a distorted trigonal planar geometry to six equivalent Hf(1) and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(1), two equivalent Co(1), and four equivalent Co(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), one Co(2), two equivalent Co(1), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Hf(1), one Co(4), two equivalent Co(1), and two equivalent Co(2) atoms.
Hf2Co4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 14-coordinate geometry to two equivalent Co(2), two equivalent Co(4), four equivalent Co(1), two equivalent P(1), and four equivalent P(3) atoms. Both Hf(1)-Co(2) bond lengths are 2.91 Å. Both Hf(1)-Co(4) bond lengths are 2.76 Å. All Hf(1)-Co(1) bond lengths are 2.96 Å. Both Hf(1)-P(1) bond lengths are 2.72 Å. All Hf(1)-P(3) bond lengths are 2.76 Å. In the second Hf site, Hf(2) is bonded in a 13-coordinate geometry to two equivalent Co(1), two equivalent Co(2), four equivalent Co(3), one P(1), and four equivalent P(2) atoms. Both Hf(2)-Co(1) bond lengths are 2.67 Å. Both Hf(2)-Co(2) bond lengths are 2.67 Å. All Hf(2)-Co(3) bond lengths are 2.77 Å. The Hf(2)-P(1) bond length is 2.53 Å. All Hf(2)-P(2) bond lengths are 2.61 Å. In the third Hf site, Hf(3) is bonded in a 15-coordinate geometry to three equivalent Co(1), six equivalent Co(3), and six equivalent P(2) atoms. All Hf(3)-Co(1) bond lengths are 3.04 Å. All Hf(3)-Co(3) bond lengths are 2.96 Å. All Hf(3)-P(2) bond lengths are 2.75 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one P(1), one P(3), and two equivalent P(2) atoms. The Co(1)-P(1) bond length is 2.16 Å. The Co(1)-P(3) bond length is 2.26 Å. Both Co(1)-P(2) bond lengths are 2.25 Å. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent P(2), and two equivalent P(3) atoms. Both Co(2)-P(2) bond lengths are 2.28 Å. Both Co(2)-P(3) bond lengths are 2.19 Å. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent P(1), and two equivalent P(2) atoms. Both Co(3)-P(1) bond lengths are 2.41 Å. There is one shorter (2.17 Å) and one longer (2.26 Å) Co(3)-P(2) bond length. In the fourth Co site, Co(4) is bonded in a distorted trigonal planar geometry to six equivalent Hf(1) and three equivalent P(3) atoms. All Co(4)-P(3) bond lengths are 2.09 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(1), two equivalent Co(1), and four equivalent Co(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), one Co(2), two equivalent Co(1), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Hf(1), one Co(4), two equivalent Co(1), and two equivalent Co(2) atoms.