Sr9ThCl22 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Cl(4), two equivalent Cl(5), and eight equivalent Cl(3) atoms to form corner-sharing SrCl12 cuboctahedra. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to one Cl(4), four equivalent Cl(1), and four equivalent Cl(3) atoms. In the third Sr site, Sr(3) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. In the fourth Sr site, Sr(4) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. In the fifth Sr site, Sr(5) is bonded in a body-centered cubic geometry to one Cl(5), four equivalent Cl(1), and four equivalent Cl(3) atoms. Th(1) is bonded in a distorted body-centered cubic geometry to two equivalent Cl(4), two equivalent Cl(5), and eight equivalent Cl(3) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to two equivalent Sr(1), two equivalent Sr(5), and two equivalent Th(1) atoms to form ClSr4Th2 octahedra that share corners with four equivalent Cl(5)Sr4Th2 octahedra, corners with eight equivalent Cl(1)Sr4 tetrahedra, corners with sixteen equivalent Cl(3)Sr3Th tetrahedra, edges with four equivalent Cl(4)Sr4Th2 octahedra, and faces with eight equivalent Cl(3)Sr3Th tetrahedra. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(1) is bonded to one Sr(2), one Sr(3), one Sr(4), and one Sr(5) atom to form ClSr4 tetrahedra that share  a cornercorner with one Cl(4)Sr4Th2 octahedra,  a cornercorner with one Cl(5)Sr4Th2 octahedra, corners with four equivalent Cl(1)Sr4 tetrahedra, corners with six equivalent Cl(3)Sr3Th tetrahedra, corners with six equivalent Cl(2)Sr4 tetrahedra,  an edgeedge with one Cl(3)Sr3Th tetrahedra,  an edgeedge with one Cl(2)Sr4 tetrahedra, and edges with four equivalent Cl(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third Cl site, Cl(2) is bonded to two equivalent Sr(3) and two equivalent Sr(4) atoms to form a mixture of corner and edge-sharing ClSr4 tetrahedra. In the fourth Cl site, Cl(3) is bonded to one Sr(1), one Sr(2), one Sr(5), and one Th(1) atom to form ClSr3Th tetrahedra that share corners with two equivalent Cl(4)Sr4Th2 octahedra, corners with two equivalent Cl(5)Sr4Th2 octahedra, corners with six equivalent Cl(1)Sr4 tetrahedra, corners with ten equivalent Cl(3)Sr3Th tetrahedra,  an edgeedge with one Cl(1)Sr4 tetrahedra, edges with five equivalent Cl(3)Sr3Th tetrahedra,  a faceface with one Cl(4)Sr4Th2 octahedra, and  a faceface with one Cl(5)Sr4Th2 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the fifth Cl site, Cl(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Th(1) atoms to form ClSr4Th2 octahedra that share corners with four equivalent Cl(4)Sr4Th2 octahedra, corners with eight equivalent Cl(1)Sr4 tetrahedra, corners with sixteen equivalent Cl(3)Sr3Th tetrahedra, edges with four equivalent Cl(5)Sr4Th2 octahedra, and faces with eight equivalent Cl(3)Sr3Th tetrahedra. The corner-sharing octahedra are not tilted.
Sr9ThCl22 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Cl(4), two equivalent Cl(5), and eight equivalent Cl(3) atoms to form corner-sharing SrCl12 cuboctahedra. Both Sr(1)-Cl(4) bond lengths are 3.52 Å. Both Sr(1)-Cl(5) bond lengths are 3.51 Å. All Sr(1)-Cl(3) bond lengths are 3.27 Å. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to one Cl(4), four equivalent Cl(1), and four equivalent Cl(3) atoms. The Sr(2)-Cl(4) bond length is 3.57 Å. All Sr(2)-Cl(1) bond lengths are 3.05 Å. All Sr(2)-Cl(3) bond lengths are 3.00 Å. In the third Sr site, Sr(3) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. All Sr(3)-Cl(1) bond lengths are 3.04 Å. All Sr(3)-Cl(2) bond lengths are 3.05 Å. In the fourth Sr site, Sr(4) is bonded in a body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. All Sr(4)-Cl(1) bond lengths are 3.06 Å. All Sr(4)-Cl(2) bond lengths are 3.06 Å. In the fifth Sr site, Sr(5) is bonded in a body-centered cubic geometry to one Cl(5), four equivalent Cl(1), and four equivalent Cl(3) atoms. The Sr(5)-Cl(5) bond length is 3.57 Å. All Sr(5)-Cl(1) bond lengths are 3.05 Å. All Sr(5)-Cl(3) bond lengths are 3.00 Å. Th(1) is bonded in a distorted body-centered cubic geometry to two equivalent Cl(4), two equivalent Cl(5), and eight equivalent Cl(3) atoms. Both Th(1)-Cl(4) bond lengths are 3.51 Å. Both Th(1)-Cl(5) bond lengths are 3.52 Å. All Th(1)-Cl(3) bond lengths are 3.00 Å. There are five inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to two equivalent Sr(1), two equivalent Sr(5), and two equivalent Th(1) atoms to form ClSr4Th2 octahedra that share corners with four equivalent Cl(5)Sr4Th2 octahedra, corners with eight equivalent Cl(1)Sr4 tetrahedra, corners with sixteen equivalent Cl(3)Sr3Th tetrahedra, edges with four equivalent Cl(4)Sr4Th2 octahedra, and faces with eight equivalent Cl(3)Sr3Th tetrahedra. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(1) is bonded to one Sr(2), one Sr(3), one Sr(4), and one Sr(5) atom to form ClSr4 tetrahedra that share  a cornercorner with one Cl(4)Sr4Th2 octahedra,  a cornercorner with one Cl(5)Sr4Th2 octahedra, corners with four equivalent Cl(1)Sr4 tetrahedra, corners with six equivalent Cl(3)Sr3Th tetrahedra, corners with six equivalent Cl(2)Sr4 tetrahedra,  an edgeedge with one Cl(3)Sr3Th tetrahedra,  an edgeedge with one Cl(2)Sr4 tetrahedra, and edges with four equivalent Cl(1)Sr4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third Cl site, Cl(2) is bonded to two equivalent Sr(3) and two equivalent Sr(4) atoms to form a mixture of corner and edge-sharing ClSr4 tetrahedra. In the fourth Cl site, Cl(3) is bonded to one Sr(1), one Sr(2), one Sr(5), and one Th(1) atom to form ClSr3Th tetrahedra that share corners with two equivalent Cl(4)Sr4Th2 octahedra, corners with two equivalent Cl(5)Sr4Th2 octahedra, corners with six equivalent Cl(1)Sr4 tetrahedra, corners with ten equivalent Cl(3)Sr3Th tetrahedra,  an edgeedge with one Cl(1)Sr4 tetrahedra, edges with five equivalent Cl(3)Sr3Th tetrahedra,  a faceface with one Cl(4)Sr4Th2 octahedra, and  a faceface with one Cl(5)Sr4Th2 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the fifth Cl site, Cl(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Th(1) atoms to form ClSr4Th2 octahedra that share corners with four equivalent Cl(4)Sr4Th2 octahedra, corners with eight equivalent Cl(1)Sr4 tetrahedra, corners with sixteen equivalent Cl(3)Sr3Th tetrahedra, edges with four equivalent Cl(5)Sr4Th2 octahedra, and faces with eight equivalent Cl(3)Sr3Th tetrahedra. The corner-sharing octahedra are not tilted.