Ho2Fe12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), six equivalent Fe(3), and six equivalent P(2) atoms. In the second Ho site, Ho(2) is bonded in a 15-coordinate geometry to three equivalent Fe(3), six equivalent Fe(1), and six equivalent P(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Ho(1), two equivalent Ho(2), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeHo3P4 tetrahedra that share corners with four equivalent Fe(3)Ho3P4 tetrahedra, corners with four equivalent Fe(2)HoP4 tetrahedra, corners with six equivalent Fe(1)Ho3P4 tetrahedra,  an edgeedge with one Fe(2)HoP4 tetrahedra, edges with two equivalent Fe(1)Ho3P4 tetrahedra, edges with four equivalent Fe(3)Ho3P4 tetrahedra,  a faceface with one Fe(2)HoP4 tetrahedra, faces with two equivalent Fe(1)Ho3P4 tetrahedra, and faces with two equivalent Fe(3)Ho3P4 tetrahedra. In the second Fe site, Fe(2) is bonded to one Ho(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeHoP4 tetrahedra that share corners with two equivalent Fe(3)Ho3P4 tetrahedra, corners with four equivalent Fe(1)Ho3P4 tetrahedra, corners with six equivalent Fe(2)HoP4 tetrahedra,  an edgeedge with one Fe(1)Ho3P4 tetrahedra, edges with two equivalent Fe(3)Ho3P4 tetrahedra,  a faceface with one Fe(1)Ho3P4 tetrahedra, and faces with two equivalent Fe(3)Ho3P4 tetrahedra. In the third Fe site, Fe(3) is bonded to one Ho(2), two equivalent Ho(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeHo3P4 tetrahedra that share corners with two equivalent Fe(2)HoP4 tetrahedra, corners with four equivalent Fe(1)Ho3P4 tetrahedra, corners with six equivalent Fe(3)Ho3P4 tetrahedra, edges with two equivalent Fe(3)Ho3P4 tetrahedra, edges with two equivalent Fe(2)HoP4 tetrahedra, edges with four equivalent Fe(1)Ho3P4 tetrahedra, faces with two equivalent Fe(1)Ho3P4 tetrahedra, faces with two equivalent Fe(3)Ho3P4 tetrahedra, and faces with two equivalent Fe(2)HoP4 tetrahedra. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two 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 two equivalent Ho(2), one Fe(2), two equivalent Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ho(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(4) atoms.
Ho2Fe12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), six equivalent Fe(3), and six equivalent P(2) atoms. All Ho(1)-Fe(1) bond lengths are 3.15 Å. All Ho(1)-Fe(2) bond lengths are 3.05 Å. All Ho(1)-Fe(3) bond lengths are 2.98 Å. All Ho(1)-P(2) bond lengths are 2.86 Å. In the second Ho site, Ho(2) is bonded in a 15-coordinate geometry to three equivalent Fe(3), six equivalent Fe(1), and six equivalent P(1) atoms. All Ho(2)-Fe(3) bond lengths are 3.08 Å. All Ho(2)-Fe(1) bond lengths are 2.96 Å. All Ho(2)-P(1) bond lengths are 2.82 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Ho(1), two equivalent Ho(2), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeHo3P4 tetrahedra that share corners with four equivalent Fe(3)Ho3P4 tetrahedra, corners with four equivalent Fe(2)HoP4 tetrahedra, corners with six equivalent Fe(1)Ho3P4 tetrahedra,  an edgeedge with one Fe(2)HoP4 tetrahedra, edges with two equivalent Fe(1)Ho3P4 tetrahedra, edges with four equivalent Fe(3)Ho3P4 tetrahedra,  a faceface with one Fe(2)HoP4 tetrahedra, faces with two equivalent Fe(1)Ho3P4 tetrahedra, and faces with two equivalent Fe(3)Ho3P4 tetrahedra. There is one shorter (2.24 Å) and one longer (2.26 Å) Fe(1)-P(1) bond length. Both Fe(1)-P(2) bond lengths are 2.29 Å. In the second Fe site, Fe(2) is bonded to one Ho(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeHoP4 tetrahedra that share corners with two equivalent Fe(3)Ho3P4 tetrahedra, corners with four equivalent Fe(1)Ho3P4 tetrahedra, corners with six equivalent Fe(2)HoP4 tetrahedra,  an edgeedge with one Fe(1)Ho3P4 tetrahedra, edges with two equivalent Fe(3)Ho3P4 tetrahedra,  a faceface with one Fe(1)Ho3P4 tetrahedra, and faces with two equivalent Fe(3)Ho3P4 tetrahedra. The Fe(2)-P(1) bond length is 2.20 Å. The Fe(2)-P(3) bond length is 2.14 Å. Both Fe(2)-P(2) bond lengths are 2.28 Å. In the third Fe site, Fe(3) is bonded to one Ho(2), two equivalent Ho(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeHo3P4 tetrahedra that share corners with two equivalent Fe(2)HoP4 tetrahedra, corners with four equivalent Fe(1)Ho3P4 tetrahedra, corners with six equivalent Fe(3)Ho3P4 tetrahedra, edges with two equivalent Fe(3)Ho3P4 tetrahedra, edges with two equivalent Fe(2)HoP4 tetrahedra, edges with four equivalent Fe(1)Ho3P4 tetrahedra, faces with two equivalent Fe(1)Ho3P4 tetrahedra, faces with two equivalent Fe(3)Ho3P4 tetrahedra, and faces with two equivalent Fe(2)HoP4 tetrahedra. Both Fe(3)-P(1) bond lengths are 2.27 Å. There is one shorter (2.26 Å) and one longer (2.31 Å) Fe(3)-P(2) bond length. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. The Fe(4)-P(2) bond length is 2.27 Å. Both Fe(4)-P(1) bond lengths are 2.53 Å. Both Fe(4)-P(3) bond lengths are 2.49 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Ho(2), one Fe(2), two equivalent Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ho(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(4) atoms.