Th5Fe19P12 crystallizes in the monoclinic C2/m space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 16-coordinate geometry to two equivalent Fe(5), four equivalent Fe(10), four equivalent Fe(9), two equivalent P(3), and four equivalent P(6) atoms. In the second Th site, Th(2) is bonded in a 16-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(5), two equivalent Fe(7), two equivalent Fe(8), two equivalent Fe(9), two equivalent P(1), two equivalent P(5), and two equivalent P(6) atoms. In the third Th site, Th(3) is bonded in a 16-coordinate geometry to one Fe(1), one Fe(10), one Fe(8), two equivalent Fe(3), two equivalent Fe(4), three equivalent Fe(2), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Th(3), one P(5), and three equivalent P(4) atoms to form distorted FeThP4 tetrahedra that share  a cornercorner with one Fe(3)Th3P4 tetrahedra,  a cornercorner with one Fe(9)Th4P4 tetrahedra, corners with two equivalent Fe(2)Th3P4 tetrahedra, corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with two equivalent Fe(1)ThP4 tetrahedra, edges with two equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(1)ThP4 tetrahedra, and faces with two equivalent Fe(3)Th3P4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent Th(3), one P(4), and three equivalent P(2) atoms to form distorted FeTh3P4 tetrahedra that share corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with two equivalent Fe(1)ThP4 tetrahedra, corners with four equivalent Fe(3)Th3P4 tetrahedra, edges with two equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(8)Th3P4 tetrahedra, edges with two equivalent Fe(1)ThP4 tetrahedra,  a faceface with one Fe(3)Th3P4 tetrahedra,  a faceface with one Fe(8)Th3P4 tetrahedra, and faces with two equivalent Fe(2)Th3P4 tetrahedra. In the third Fe site, Fe(3) is bonded to one Th(2), two equivalent Th(3), one P(3), one P(4), and two equivalent P(5) atoms to form distorted FeTh3P4 tetrahedra that share  a cornercorner with one Fe(1)ThP4 tetrahedra, corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with four equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(3)Th3P4 tetrahedra, edges with two equivalent Fe(8)Th3P4 tetrahedra,  a faceface with one Fe(2)Th3P4 tetrahedra, faces with two equivalent Fe(9)Th4P4 tetrahedra, and faces with two equivalent Fe(1)ThP4 tetrahedra. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one Th(2), two equivalent Th(3), one P(2), one P(3), and two equivalent P(1) atoms. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Th(1), two equivalent Th(2), two equivalent P(1), and two equivalent P(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(4), and two equivalent P(5) atoms. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to four equivalent Th(2), two equivalent P(1), and two equivalent P(6) atoms. In the eighth Fe site, Fe(8) is bonded to one Th(3), two equivalent Th(2), one P(1), one P(5), and two equivalent P(2) atoms to form distorted FeTh3P4 tetrahedra that share corners with two equivalent Fe(2)Th3P4 tetrahedra, corners with two equivalent Fe(3)Th3P4 tetrahedra, corners with two equivalent Fe(9)Th4P4 tetrahedra, corners with two equivalent Fe(1)ThP4 tetrahedra, edges with two equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(3)Th3P4 tetrahedra, edges with two equivalent Fe(8)Th3P4 tetrahedra,  a faceface with one Fe(2)Th3P4 tetrahedra, and  a faceface with one Fe(9)Th4P4 tetrahedra. In the ninth Fe site, Fe(9) is bonded to two equivalent Th(1), two equivalent Th(2), one P(5), one P(6), and two equivalent P(3) atoms to form distorted FeTh4P4 tetrahedra that share  a cornercorner with one Fe(1)ThP4 tetrahedra, corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with two equivalent Fe(9)Th4P4 tetrahedra,  an edgeedge with one Fe(9)Th4P4 tetrahedra,  a faceface with one Fe(8)Th3P4 tetrahedra, faces with two equivalent Fe(3)Th3P4 tetrahedra, and faces with two equivalent Fe(9)Th4P4 tetrahedra. In the tenth Fe site, Fe(10) is bonded in a 4-coordinate geometry to one Th(3), two equivalent Th(1), one P(1), one P(6), and two equivalent P(3) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Th(2), one Fe(10), one Fe(7), one Fe(8), two equivalent Fe(4), and two equivalent Fe(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Th(3), one Fe(4), one Fe(6), two equivalent Fe(8), and three equivalent Fe(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Th(1), two equivalent Th(3), one Fe(3), one Fe(4), two equivalent Fe(10), and two equivalent Fe(9) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Th(3), one Fe(2), one Fe(3), two equivalent Fe(6), and three equivalent Fe(1) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to two equivalent Th(2), one Fe(1), one Fe(8), one Fe(9), two equivalent Fe(3), and two equivalent Fe(6) atoms. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), one Fe(10), one Fe(7), one Fe(9), and two equivalent Fe(5) atoms.
Th5Fe19P12 crystallizes in the monoclinic C2/m space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 16-coordinate geometry to two equivalent Fe(5), four equivalent Fe(10), four equivalent Fe(9), two equivalent P(3), and four equivalent P(6) atoms. Both Th(1)-Fe(5) bond lengths are 3.21 Å. All Th(1)-Fe(10) bond lengths are 3.03 Å. All Th(1)-Fe(9) bond lengths are 3.26 Å. Both Th(1)-P(3) bond lengths are 2.90 Å. All Th(1)-P(6) bond lengths are 2.93 Å. In the second Th site, Th(2) is bonded in a 16-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(5), two equivalent Fe(7), two equivalent Fe(8), two equivalent Fe(9), two equivalent P(1), two equivalent P(5), and two equivalent P(6) atoms. The Th(2)-Fe(3) bond length is 3.12 Å. The Th(2)-Fe(4) bond length is 3.15 Å. There is one shorter (3.08 Å) and one longer (3.13 Å) Th(2)-Fe(5) bond length. Both Th(2)-Fe(7) bond lengths are 3.22 Å. Both Th(2)-Fe(8) bond lengths are 3.06 Å. Both Th(2)-Fe(9) bond lengths are 3.05 Å. Both Th(2)-P(1) bond lengths are 2.91 Å. Both Th(2)-P(5) bond lengths are 2.91 Å. Both Th(2)-P(6) bond lengths are 2.94 Å. In the third Th site, Th(3) is bonded in a 16-coordinate geometry to one Fe(1), one Fe(10), one Fe(8), two equivalent Fe(3), two equivalent Fe(4), three equivalent Fe(2), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms. The Th(3)-Fe(1) bond length is 3.02 Å. The Th(3)-Fe(10) bond length is 3.12 Å. The Th(3)-Fe(8) bond length is 3.20 Å. Both Th(3)-Fe(3) bond lengths are 3.15 Å. Both Th(3)-Fe(4) bond lengths are 2.93 Å. There are two shorter (3.03 Å) and one longer (3.15 Å) Th(3)-Fe(2) bond length. Both Th(3)-P(2) bond lengths are 2.96 Å. Both Th(3)-P(3) bond lengths are 2.97 Å. Both Th(3)-P(4) bond lengths are 2.90 Å. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Th(3), one P(5), and three equivalent P(4) atoms to form distorted FeThP4 tetrahedra that share  a cornercorner with one Fe(3)Th3P4 tetrahedra,  a cornercorner with one Fe(9)Th4P4 tetrahedra, corners with two equivalent Fe(2)Th3P4 tetrahedra, corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with two equivalent Fe(1)ThP4 tetrahedra, edges with two equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(1)ThP4 tetrahedra, and faces with two equivalent Fe(3)Th3P4 tetrahedra. The Fe(1)-P(5) bond length is 2.15 Å. There is one shorter (2.16 Å) and two longer (2.27 Å) Fe(1)-P(4) bond lengths. In the second Fe site, Fe(2) is bonded to three equivalent Th(3), one P(4), and three equivalent P(2) atoms to form distorted FeTh3P4 tetrahedra that share corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with two equivalent Fe(1)ThP4 tetrahedra, corners with four equivalent Fe(3)Th3P4 tetrahedra, edges with two equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(8)Th3P4 tetrahedra, edges with two equivalent Fe(1)ThP4 tetrahedra,  a faceface with one Fe(3)Th3P4 tetrahedra,  a faceface with one Fe(8)Th3P4 tetrahedra, and faces with two equivalent Fe(2)Th3P4 tetrahedra. The Fe(2)-P(4) bond length is 2.27 Å. There are two shorter (2.32 Å) and one longer (2.40 Å) Fe(2)-P(2) bond length. In the third Fe site, Fe(3) is bonded to one Th(2), two equivalent Th(3), one P(3), one P(4), and two equivalent P(5) atoms to form distorted FeTh3P4 tetrahedra that share  a cornercorner with one Fe(1)ThP4 tetrahedra, corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with four equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(3)Th3P4 tetrahedra, edges with two equivalent Fe(8)Th3P4 tetrahedra,  a faceface with one Fe(2)Th3P4 tetrahedra, faces with two equivalent Fe(9)Th4P4 tetrahedra, and faces with two equivalent Fe(1)ThP4 tetrahedra. The Fe(3)-P(3) bond length is 2.24 Å. The Fe(3)-P(4) bond length is 2.33 Å. Both Fe(3)-P(5) bond lengths are 2.31 Å. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one Th(2), two equivalent Th(3), one P(2), one P(3), and two equivalent P(1) atoms. The Fe(4)-P(2) bond length is 2.35 Å. The Fe(4)-P(3) bond length is 2.37 Å. Both Fe(4)-P(1) bond lengths are 2.26 Å. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Th(1), two equivalent Th(2), two equivalent P(1), and two equivalent P(6) atoms. Both Fe(5)-P(1) bond lengths are 2.47 Å. Both Fe(5)-P(6) bond lengths are 2.37 Å. In the sixth Fe site, Fe(6) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(4), and two equivalent P(5) atoms. The Fe(6)-P(2) bond length is 2.25 Å. Both Fe(6)-P(4) bond lengths are 2.56 Å. Both Fe(6)-P(5) bond lengths are 2.57 Å. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to four equivalent Th(2), two equivalent P(1), and two equivalent P(6) atoms. Both Fe(7)-P(1) bond lengths are 2.48 Å. Both Fe(7)-P(6) bond lengths are 2.43 Å. In the eighth Fe site, Fe(8) is bonded to one Th(3), two equivalent Th(2), one P(1), one P(5), and two equivalent P(2) atoms to form distorted FeTh3P4 tetrahedra that share corners with two equivalent Fe(2)Th3P4 tetrahedra, corners with two equivalent Fe(3)Th3P4 tetrahedra, corners with two equivalent Fe(9)Th4P4 tetrahedra, corners with two equivalent Fe(1)ThP4 tetrahedra, edges with two equivalent Fe(2)Th3P4 tetrahedra, edges with two equivalent Fe(3)Th3P4 tetrahedra, edges with two equivalent Fe(8)Th3P4 tetrahedra,  a faceface with one Fe(2)Th3P4 tetrahedra, and  a faceface with one Fe(9)Th4P4 tetrahedra. The Fe(8)-P(1) bond length is 2.22 Å. The Fe(8)-P(5) bond length is 2.28 Å. Both Fe(8)-P(2) bond lengths are 2.39 Å. In the ninth Fe site, Fe(9) is bonded to two equivalent Th(1), two equivalent Th(2), one P(5), one P(6), and two equivalent P(3) atoms to form distorted FeTh4P4 tetrahedra that share  a cornercorner with one Fe(1)ThP4 tetrahedra, corners with two equivalent Fe(8)Th3P4 tetrahedra, corners with two equivalent Fe(9)Th4P4 tetrahedra,  an edgeedge with one Fe(9)Th4P4 tetrahedra,  a faceface with one Fe(8)Th3P4 tetrahedra, faces with two equivalent Fe(3)Th3P4 tetrahedra, and faces with two equivalent Fe(9)Th4P4 tetrahedra. The Fe(9)-P(5) bond length is 2.33 Å. The Fe(9)-P(6) bond length is 2.44 Å. Both Fe(9)-P(3) bond lengths are 2.43 Å. In the tenth Fe site, Fe(10) is bonded in a 4-coordinate geometry to one Th(3), two equivalent Th(1), one P(1), one P(6), and two equivalent P(3) atoms. The Fe(10)-P(1) bond length is 2.18 Å. The Fe(10)-P(6) bond length is 2.35 Å. Both Fe(10)-P(3) bond lengths are 2.34 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Th(2), one Fe(10), one Fe(7), one Fe(8), two equivalent Fe(4), and two equivalent Fe(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Th(3), one Fe(4), one Fe(6), two equivalent Fe(8), and three equivalent Fe(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Th(1), two equivalent Th(3), one Fe(3), one Fe(4), two equivalent Fe(10), and two equivalent Fe(9) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Th(3), one Fe(2), one Fe(3), two equivalent Fe(6), and three equivalent Fe(1) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to two equivalent Th(2), one Fe(1), one Fe(8), one Fe(9), two equivalent Fe(3), and two equivalent Fe(6) atoms. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), one Fe(10), one Fe(7), one Fe(9), and two equivalent Fe(5) atoms.