U2ThZr2O10 is Fluorite-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to one O(2), one O(8), three equivalent O(3), and three equivalent O(7) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to one O(3), one O(6), three equivalent O(1), and three equivalent O(8) atoms. Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(9), three equivalent O(4), and three equivalent O(6) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to one O(10), one O(4), three equivalent O(5), and three equivalent O(9) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to one O(5), one O(7), three equivalent O(10), and three equivalent O(2) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to three equivalent U(2) and one Th(1) atom to form OThU3 tetrahedra that share  a cornercorner with one O(9)ThZr3 tetrahedra, corners with three equivalent O(4)Th3Zr tetrahedra, corners with three equivalent O(3)U4 tetrahedra, corners with three equivalent O(8)U4 tetrahedra, corners with six equivalent O(1)ThU3 tetrahedra, edges with three equivalent O(6)Th3U tetrahedra, and edges with three equivalent O(8)U4 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent Zr(2) atoms to form OZr3U tetrahedra that share  a cornercorner with one O(8)U4 tetrahedra, corners with three equivalent O(3)U4 tetrahedra, corners with three equivalent O(10)Zr4 tetrahedra, corners with three equivalent O(5)Zr4 tetrahedra, corners with six equivalent O(2)Zr3U tetrahedra, edges with three equivalent O(10)Zr4 tetrahedra, and edges with three equivalent O(7)ZrU3 tetrahedra. In the third O site, O(3) is bonded to one U(2) and three equivalent U(1) atoms to form OU4 tetrahedra that share  a cornercorner with one O(6)Th3U tetrahedra, corners with three equivalent O(1)ThU3 tetrahedra, corners with three equivalent O(2)Zr3U tetrahedra, corners with three equivalent O(7)ZrU3 tetrahedra, corners with six equivalent O(3)U4 tetrahedra, edges with three equivalent O(8)U4 tetrahedra, and edges with three equivalent O(7)ZrU3 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Th(1) and one Zr(1) atom to form OTh3Zr tetrahedra that share  a cornercorner with one O(10)Zr4 tetrahedra, corners with three equivalent O(6)Th3U tetrahedra, corners with three equivalent O(1)ThU3 tetrahedra, corners with three equivalent O(5)Zr4 tetrahedra, corners with six equivalent O(4)Th3Zr tetrahedra, edges with three equivalent O(6)Th3U tetrahedra, and edges with three equivalent O(9)ThZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(7)ZrU3 tetrahedra, corners with three equivalent O(4)Th3Zr tetrahedra, corners with three equivalent O(9)ThZr3 tetrahedra, corners with three equivalent O(2)Zr3U tetrahedra, corners with six equivalent O(5)Zr4 tetrahedra, edges with three equivalent O(9)ThZr3 tetrahedra, and edges with three equivalent O(10)Zr4 tetrahedra. In the sixth O site, O(6) is bonded to one U(2) and three equivalent Th(1) atoms to form OTh3U tetrahedra that share  a cornercorner with one O(3)U4 tetrahedra, corners with three equivalent O(4)Th3Zr tetrahedra, corners with three equivalent O(9)ThZr3 tetrahedra, corners with three equivalent O(8)U4 tetrahedra, corners with six equivalent O(6)Th3U tetrahedra, edges with three equivalent O(4)Th3Zr tetrahedra, and edges with three equivalent O(1)ThU3 tetrahedra. In the seventh O site, O(7) is bonded to three equivalent U(1) and one Zr(2) atom to form OZrU3 tetrahedra that share  a cornercorner with one O(5)Zr4 tetrahedra, corners with three equivalent O(3)U4 tetrahedra, corners with three equivalent O(8)U4 tetrahedra, corners with three equivalent O(10)Zr4 tetrahedra, corners with six equivalent O(7)ZrU3 tetrahedra, edges with three equivalent O(3)U4 tetrahedra, and edges with three equivalent O(2)Zr3U tetrahedra. In the eighth O site, O(8) is bonded to one U(1) and three equivalent U(2) atoms to form OU4 tetrahedra that share  a cornercorner with one O(2)Zr3U tetrahedra, corners with three equivalent O(6)Th3U tetrahedra, corners with three equivalent O(1)ThU3 tetrahedra, corners with three equivalent O(7)ZrU3 tetrahedra, corners with six equivalent O(8)U4 tetrahedra, edges with three equivalent O(1)ThU3 tetrahedra, and edges with three equivalent O(3)U4 tetrahedra. In the ninth O site, O(9) is bonded to one Th(1) and three equivalent Zr(1) atoms to form OThZr3 tetrahedra that share  a cornercorner with one O(1)ThU3 tetrahedra, corners with three equivalent O(6)Th3U tetrahedra, corners with three equivalent O(10)Zr4 tetrahedra, corners with three equivalent O(5)Zr4 tetrahedra, corners with six equivalent O(9)ThZr3 tetrahedra, edges with three equivalent O(4)Th3Zr tetrahedra, and edges with three equivalent O(5)Zr4 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(1) and three equivalent Zr(2) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(4)Th3Zr tetrahedra, corners with three equivalent O(9)ThZr3 tetrahedra, corners with three equivalent O(2)Zr3U tetrahedra, corners with three equivalent O(7)ZrU3 tetrahedra, corners with six equivalent O(10)Zr4 tetrahedra, edges with three equivalent O(2)Zr3U tetrahedra, and edges with three equivalent O(5)Zr4 tetrahedra.
U2ThZr2O10 is Fluorite-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to one O(2), one O(8), three equivalent O(3), and three equivalent O(7) atoms. The U(1)-O(2) bond length is 2.35 Å. The U(1)-O(8) bond length is 2.34 Å. All U(1)-O(3) bond lengths are 2.33 Å. All U(1)-O(7) bond lengths are 2.34 Å. In the second U site, U(2) is bonded in a body-centered cubic geometry to one O(3), one O(6), three equivalent O(1), and three equivalent O(8) atoms. The U(2)-O(3) bond length is 2.36 Å. The U(2)-O(6) bond length is 2.43 Å. All U(2)-O(1) bond lengths are 2.33 Å. All U(2)-O(8) bond lengths are 2.33 Å. Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(9), three equivalent O(4), and three equivalent O(6) atoms. The Th(1)-O(1) bond length is 2.51 Å. The Th(1)-O(9) bond length is 2.44 Å. All Th(1)-O(4) bond lengths are 2.36 Å. All Th(1)-O(6) bond lengths are 2.36 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to one O(10), one O(4), three equivalent O(5), and three equivalent O(9) atoms. The Zr(1)-O(10) bond length is 2.13 Å. The Zr(1)-O(4) bond length is 2.23 Å. All Zr(1)-O(5) bond lengths are 2.29 Å. All Zr(1)-O(9) bond lengths are 2.29 Å. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to one O(5), one O(7), three equivalent O(10), and three equivalent O(2) atoms. The Zr(2)-O(5) bond length is 2.13 Å. The Zr(2)-O(7) bond length is 2.22 Å. All Zr(2)-O(10) bond lengths are 2.29 Å. All Zr(2)-O(2) bond lengths are 2.30 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to three equivalent U(2) and one Th(1) atom to form OThU3 tetrahedra that share  a cornercorner with one O(9)ThZr3 tetrahedra, corners with three equivalent O(4)Th3Zr tetrahedra, corners with three equivalent O(3)U4 tetrahedra, corners with three equivalent O(8)U4 tetrahedra, corners with six equivalent O(1)ThU3 tetrahedra, edges with three equivalent O(6)Th3U tetrahedra, and edges with three equivalent O(8)U4 tetrahedra. In the second O site, O(2) is bonded to one U(1) and three equivalent Zr(2) atoms to form OZr3U tetrahedra that share  a cornercorner with one O(8)U4 tetrahedra, corners with three equivalent O(3)U4 tetrahedra, corners with three equivalent O(10)Zr4 tetrahedra, corners with three equivalent O(5)Zr4 tetrahedra, corners with six equivalent O(2)Zr3U tetrahedra, edges with three equivalent O(10)Zr4 tetrahedra, and edges with three equivalent O(7)ZrU3 tetrahedra. In the third O site, O(3) is bonded to one U(2) and three equivalent U(1) atoms to form OU4 tetrahedra that share  a cornercorner with one O(6)Th3U tetrahedra, corners with three equivalent O(1)ThU3 tetrahedra, corners with three equivalent O(2)Zr3U tetrahedra, corners with three equivalent O(7)ZrU3 tetrahedra, corners with six equivalent O(3)U4 tetrahedra, edges with three equivalent O(8)U4 tetrahedra, and edges with three equivalent O(7)ZrU3 tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Th(1) and one Zr(1) atom to form OTh3Zr tetrahedra that share  a cornercorner with one O(10)Zr4 tetrahedra, corners with three equivalent O(6)Th3U tetrahedra, corners with three equivalent O(1)ThU3 tetrahedra, corners with three equivalent O(5)Zr4 tetrahedra, corners with six equivalent O(4)Th3Zr tetrahedra, edges with three equivalent O(6)Th3U tetrahedra, and edges with three equivalent O(9)ThZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Zr(2) and three equivalent Zr(1) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(7)ZrU3 tetrahedra, corners with three equivalent O(4)Th3Zr tetrahedra, corners with three equivalent O(9)ThZr3 tetrahedra, corners with three equivalent O(2)Zr3U tetrahedra, corners with six equivalent O(5)Zr4 tetrahedra, edges with three equivalent O(9)ThZr3 tetrahedra, and edges with three equivalent O(10)Zr4 tetrahedra. In the sixth O site, O(6) is bonded to one U(2) and three equivalent Th(1) atoms to form OTh3U tetrahedra that share  a cornercorner with one O(3)U4 tetrahedra, corners with three equivalent O(4)Th3Zr tetrahedra, corners with three equivalent O(9)ThZr3 tetrahedra, corners with three equivalent O(8)U4 tetrahedra, corners with six equivalent O(6)Th3U tetrahedra, edges with three equivalent O(4)Th3Zr tetrahedra, and edges with three equivalent O(1)ThU3 tetrahedra. In the seventh O site, O(7) is bonded to three equivalent U(1) and one Zr(2) atom to form OZrU3 tetrahedra that share  a cornercorner with one O(5)Zr4 tetrahedra, corners with three equivalent O(3)U4 tetrahedra, corners with three equivalent O(8)U4 tetrahedra, corners with three equivalent O(10)Zr4 tetrahedra, corners with six equivalent O(7)ZrU3 tetrahedra, edges with three equivalent O(3)U4 tetrahedra, and edges with three equivalent O(2)Zr3U tetrahedra. In the eighth O site, O(8) is bonded to one U(1) and three equivalent U(2) atoms to form OU4 tetrahedra that share  a cornercorner with one O(2)Zr3U tetrahedra, corners with three equivalent O(6)Th3U tetrahedra, corners with three equivalent O(1)ThU3 tetrahedra, corners with three equivalent O(7)ZrU3 tetrahedra, corners with six equivalent O(8)U4 tetrahedra, edges with three equivalent O(1)ThU3 tetrahedra, and edges with three equivalent O(3)U4 tetrahedra. In the ninth O site, O(9) is bonded to one Th(1) and three equivalent Zr(1) atoms to form OThZr3 tetrahedra that share  a cornercorner with one O(1)ThU3 tetrahedra, corners with three equivalent O(6)Th3U tetrahedra, corners with three equivalent O(10)Zr4 tetrahedra, corners with three equivalent O(5)Zr4 tetrahedra, corners with six equivalent O(9)ThZr3 tetrahedra, edges with three equivalent O(4)Th3Zr tetrahedra, and edges with three equivalent O(5)Zr4 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(1) and three equivalent Zr(2) atoms to form OZr4 tetrahedra that share  a cornercorner with one O(4)Th3Zr tetrahedra, corners with three equivalent O(9)ThZr3 tetrahedra, corners with three equivalent O(2)Zr3U tetrahedra, corners with three equivalent O(7)ZrU3 tetrahedra, corners with six equivalent O(10)Zr4 tetrahedra, edges with three equivalent O(2)Zr3U tetrahedra, and edges with three equivalent O(5)Zr4 tetrahedra.