Th(Fe2P)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 17-coordinate geometry to one Fe(1), one Fe(3), one Fe(6), two equivalent Fe(2), three equivalent Fe(4), three equivalent Fe(5), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Th site, Th(2) is bonded in a 16-coordinate geometry to two equivalent Fe(6), four equivalent Fe(3), four equivalent Fe(4), two equivalent P(2), and four equivalent P(1) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Th(1) and two equivalent P(3) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Th(1), one P(2), and one P(3) atom. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one Th(1), two equivalent Th(2), one P(1), and two equivalent P(2) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Th(2), three equivalent Th(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeTh5P4 tetrahedra that share corners with three equivalent Fe(5)Th3P4 tetrahedra, corners with six equivalent Fe(4)Th5P4 tetrahedra,  an edgeedge with one Fe(4)Th5P4 tetrahedra, faces with two equivalent Fe(4)Th5P4 tetrahedra, and faces with three equivalent Fe(5)Th3P4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to three equivalent Th(1), one P(1), one P(2), and two equivalent P(3) atoms to form distorted FeTh3P4 tetrahedra that share corners with three equivalent Fe(4)Th5P4 tetrahedra, corners with four equivalent Fe(5)Th3P4 tetrahedra, edges with two equivalent Fe(5)Th3P4 tetrahedra, and faces with three equivalent Fe(4)Th5P4 tetrahedra. In the sixth Fe site, Fe(6) is bonded in a distorted trigonal non-coplanar geometry to one Th(1), one Th(2), one P(3), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), one Fe(2), one Fe(5), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), one Fe(2), one Fe(4), one Fe(6), two equivalent Fe(1), and two equivalent Fe(5) atoms. In the third P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), one Fe(3), one Fe(4), one Fe(5), and two equivalent Fe(6) atoms.
Th(Fe2P)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 17-coordinate geometry to one Fe(1), one Fe(3), one Fe(6), two equivalent Fe(2), three equivalent Fe(4), three equivalent Fe(5), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. The Th(1)-Fe(1) bond length is 3.25 Å. The Th(1)-Fe(3) bond length is 3.08 Å. The Th(1)-Fe(6) bond length is 3.17 Å. Both Th(1)-Fe(2) bond lengths are 3.10 Å. There are two shorter (3.12 Å) and one longer (3.38 Å) Th(1)-Fe(4) bond length. There are two shorter (2.97 Å) and one longer (3.23 Å) Th(1)-Fe(5) bond length. Both Th(1)-P(1) bond lengths are 2.95 Å. Both Th(1)-P(2) bond lengths are 2.95 Å. Both Th(1)-P(3) bond lengths are 2.92 Å. In the second Th site, Th(2) is bonded in a 16-coordinate geometry to two equivalent Fe(6), four equivalent Fe(3), four equivalent Fe(4), two equivalent P(2), and four equivalent P(1) atoms. Both Th(2)-Fe(6) bond lengths are 3.05 Å. All Th(2)-Fe(3) bond lengths are 3.21 Å. All Th(2)-Fe(4) bond lengths are 3.19 Å. Both Th(2)-P(2) bond lengths are 2.89 Å. All Th(2)-P(1) bond lengths are 2.95 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Th(1) and two equivalent P(3) atoms. Both Fe(1)-P(3) bond lengths are 2.43 Å. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Th(1), one P(2), and one P(3) atom. The Fe(2)-P(2) bond length is 2.45 Å. The Fe(2)-P(3) bond length is 2.37 Å. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one Th(1), two equivalent Th(2), one P(1), and two equivalent P(2) atoms. The Fe(3)-P(1) bond length is 2.35 Å. Both Fe(3)-P(2) bond lengths are 2.33 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent Th(2), three equivalent Th(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeTh5P4 tetrahedra that share corners with three equivalent Fe(5)Th3P4 tetrahedra, corners with six equivalent Fe(4)Th5P4 tetrahedra,  an edgeedge with one Fe(4)Th5P4 tetrahedra, faces with two equivalent Fe(4)Th5P4 tetrahedra, and faces with three equivalent Fe(5)Th3P4 tetrahedra. The Fe(4)-P(1) bond length is 2.50 Å. The Fe(4)-P(3) bond length is 2.30 Å. Both Fe(4)-P(2) bond lengths are 2.43 Å. In the fifth Fe site, Fe(5) is bonded to three equivalent Th(1), one P(1), one P(2), and two equivalent P(3) atoms to form distorted FeTh3P4 tetrahedra that share corners with three equivalent Fe(4)Th5P4 tetrahedra, corners with four equivalent Fe(5)Th3P4 tetrahedra, edges with two equivalent Fe(5)Th3P4 tetrahedra, and faces with three equivalent Fe(4)Th5P4 tetrahedra. The Fe(5)-P(1) bond length is 2.31 Å. The Fe(5)-P(2) bond length is 2.26 Å. Both Fe(5)-P(3) bond lengths are 2.28 Å. In the sixth Fe site, Fe(6) is bonded in a distorted trigonal non-coplanar geometry to one Th(1), one Th(2), one P(3), and two equivalent P(1) atoms. The Fe(6)-P(3) bond length is 2.16 Å. Both Fe(6)-P(1) bond lengths are 2.28 Å. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), one Fe(2), one Fe(5), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), one Fe(2), one Fe(4), one Fe(6), two equivalent Fe(1), and two equivalent Fe(5) atoms. In the third P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), one Fe(3), one Fe(4), one Fe(5), and two equivalent Fe(6) atoms.