Ba7U7O24 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(19), one O(2), one O(20), one O(7), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(16), one O(17), one O(21), one O(22), one O(3), one O(5), one O(9), and two equivalent O(14) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(15), one O(16), one O(20), one O(3), one O(4), one O(7), and two equivalent O(23) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(14), one O(16), one O(17), one O(19), one O(20), one O(3), one O(7), one O(8), and two equivalent O(1) atoms. In the fifth Ba site, Ba(5) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(15), one O(21), one O(22), one O(9), and two equivalent O(2) atoms. In the sixth Ba site, Ba(6) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(24), one O(3), and one O(4) atom. In the seventh Ba site, Ba(7) is bonded in a 11-coordinate geometry to one O(10), one O(17), one O(18), one O(20), one O(21), one O(23), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. There are seven inequivalent U sites. In the first U site, U(1) is bonded to one O(11), one O(13), one O(15), one O(19), one O(4), and one O(8) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 19-26°. In the second U site, U(2) is bonded to one O(11), one O(14), one O(16), one O(22), one O(3), and one O(9) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the third U site, U(3) is bonded to one O(10), one O(12), one O(14), one O(17), one O(21), and one O(5) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 9-27°. In the fourth U site, U(4) is bonded to one O(12), one O(13), one O(18), one O(20), one O(6), and one O(7) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 10-27°. In the fifth U site, U(5) is bonded to one O(10), one O(15), one O(2), one O(21), one O(23), and one O(4) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 15-23°. In the sixth U site, U(6) is bonded to one O(18), one O(2), one O(22), one O(24), one O(6), and one O(9) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. In the seventh U site, U(7) is bonded to one O(1), one O(17), one O(19), one O(24), one O(5), and one O(8) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(4), and one U(7) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(5), one U(5), and one U(6) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one U(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(6), one U(1), and one U(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(7), one U(3), and one U(7) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(7), one U(4), and one U(6) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one U(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one U(1), and one U(7) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one U(2), and one U(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), one U(3), and one U(5) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one U(1) and one U(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(7), one U(3), and one U(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(5), one U(1), and one U(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ba(4), two equivalent Ba(2), one U(2), and one U(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(5), one Ba(6), one U(1), and one U(5) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one U(2) atom. In the seventeenth O site, O(17) is bonded in a distorted linear geometry to one Ba(2), one Ba(4), one Ba(7), one U(3), and one U(7) atom. In the eighteenth O site, O(18) is bonded in a distorted linear geometry to one Ba(7), one U(4), and one U(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one U(1), and one U(7) atom. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one U(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(5), one Ba(7), one U(3), and one U(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one U(2), and one U(6) atom. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Ba(7), two equivalent Ba(3), and one U(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Ba(6), one U(6), and one U(7) atom.
Ba7U7O24 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(19), one O(2), one O(20), one O(7), and one O(8) atom. The Ba(1)-O(19) bond length is 2.77 Å. The Ba(1)-O(2) bond length is 2.89 Å. The Ba(1)-O(20) bond length is 2.66 Å. The Ba(1)-O(7) bond length is 2.72 Å. The Ba(1)-O(8) bond length is 2.78 Å. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(16), one O(17), one O(21), one O(22), one O(3), one O(5), one O(9), and two equivalent O(14) atoms. The Ba(2)-O(1) bond length is 2.62 Å. The Ba(2)-O(10) bond length is 3.17 Å. The Ba(2)-O(16) bond length is 3.16 Å. The Ba(2)-O(17) bond length is 3.18 Å. The Ba(2)-O(21) bond length is 3.06 Å. The Ba(2)-O(22) bond length is 2.86 Å. The Ba(2)-O(3) bond length is 3.02 Å. The Ba(2)-O(5) bond length is 3.07 Å. The Ba(2)-O(9) bond length is 2.92 Å. There is one shorter (3.05 Å) and one longer (3.18 Å) Ba(2)-O(14) bond length. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(15), one O(16), one O(20), one O(3), one O(4), one O(7), and two equivalent O(23) atoms. The Ba(3)-O(10) bond length is 3.42 Å. The Ba(3)-O(12) bond length is 2.79 Å. The Ba(3)-O(15) bond length is 3.02 Å. The Ba(3)-O(16) bond length is 2.78 Å. The Ba(3)-O(20) bond length is 3.33 Å. The Ba(3)-O(3) bond length is 2.78 Å. The Ba(3)-O(4) bond length is 2.98 Å. The Ba(3)-O(7) bond length is 3.06 Å. There is one shorter (2.98 Å) and one longer (3.38 Å) Ba(3)-O(23) bond length. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(14), one O(16), one O(17), one O(19), one O(20), one O(3), one O(7), one O(8), and two equivalent O(1) atoms. The Ba(4)-O(14) bond length is 2.82 Å. The Ba(4)-O(16) bond length is 3.17 Å. The Ba(4)-O(17) bond length is 3.41 Å. The Ba(4)-O(19) bond length is 2.94 Å. The Ba(4)-O(20) bond length is 2.79 Å. The Ba(4)-O(3) bond length is 3.45 Å. The Ba(4)-O(7) bond length is 2.80 Å. The Ba(4)-O(8) bond length is 2.98 Å. There is one shorter (2.98 Å) and one longer (3.37 Å) Ba(4)-O(1) bond length. In the fifth Ba site, Ba(5) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(15), one O(21), one O(22), one O(9), and two equivalent O(2) atoms. The Ba(5)-O(10) bond length is 2.77 Å. The Ba(5)-O(13) bond length is 2.66 Å. The Ba(5)-O(15) bond length is 3.21 Å. The Ba(5)-O(21) bond length is 2.82 Å. The Ba(5)-O(22) bond length is 2.87 Å. The Ba(5)-O(9) bond length is 2.80 Å. There is one shorter (3.06 Å) and one longer (3.24 Å) Ba(5)-O(2) bond length. In the sixth Ba site, Ba(6) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(24), one O(3), and one O(4) atom. The Ba(6)-O(15) bond length is 2.82 Å. The Ba(6)-O(16) bond length is 2.70 Å. The Ba(6)-O(24) bond length is 2.82 Å. The Ba(6)-O(3) bond length is 2.65 Å. The Ba(6)-O(4) bond length is 2.80 Å. In the seventh Ba site, Ba(7) is bonded in a 11-coordinate geometry to one O(10), one O(17), one O(18), one O(20), one O(21), one O(23), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. The Ba(7)-O(10) bond length is 3.39 Å. The Ba(7)-O(17) bond length is 3.07 Å. The Ba(7)-O(18) bond length is 2.97 Å. The Ba(7)-O(20) bond length is 3.01 Å. The Ba(7)-O(21) bond length is 3.27 Å. The Ba(7)-O(23) bond length is 2.64 Å. The Ba(7)-O(5) bond length is 2.98 Å. The Ba(7)-O(6) bond length is 2.88 Å. The Ba(7)-O(7) bond length is 3.17 Å. There is one shorter (3.04 Å) and one longer (3.21 Å) Ba(7)-O(12) bond length. There are seven inequivalent U sites. In the first U site, U(1) is bonded to one O(11), one O(13), one O(15), one O(19), one O(4), and one O(8) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 19-26°. The U(1)-O(11) bond length is 2.12 Å. The U(1)-O(13) bond length is 2.19 Å. The U(1)-O(15) bond length is 2.23 Å. The U(1)-O(19) bond length is 2.17 Å. The U(1)-O(4) bond length is 2.23 Å. The U(1)-O(8) bond length is 2.17 Å. In the second U site, U(2) is bonded to one O(11), one O(14), one O(16), one O(22), one O(3), and one O(9) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. The U(2)-O(11) bond length is 2.25 Å. The U(2)-O(14) bond length is 2.32 Å. The U(2)-O(16) bond length is 2.03 Å. The U(2)-O(22) bond length is 2.22 Å. The U(2)-O(3) bond length is 2.02 Å. The U(2)-O(9) bond length is 2.21 Å. In the third U site, U(3) is bonded to one O(10), one O(12), one O(14), one O(17), one O(21), and one O(5) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 9-27°. The U(3)-O(10) bond length is 2.23 Å. The U(3)-O(12) bond length is 2.16 Å. The U(3)-O(14) bond length is 2.18 Å. The U(3)-O(17) bond length is 2.15 Å. The U(3)-O(21) bond length is 2.24 Å. The U(3)-O(5) bond length is 2.16 Å. In the fourth U site, U(4) is bonded to one O(12), one O(13), one O(18), one O(20), one O(6), and one O(7) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 10-27°. The U(4)-O(12) bond length is 2.28 Å. The U(4)-O(13) bond length is 2.32 Å. The U(4)-O(18) bond length is 2.19 Å. The U(4)-O(20) bond length is 2.03 Å. The U(4)-O(6) bond length is 2.20 Å. The U(4)-O(7) bond length is 2.03 Å. In the fifth U site, U(5) is bonded to one O(10), one O(15), one O(2), one O(21), one O(23), and one O(4) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 15-23°. The U(5)-O(10) bond length is 2.26 Å. The U(5)-O(15) bond length is 2.27 Å. The U(5)-O(2) bond length is 2.13 Å. The U(5)-O(21) bond length is 2.24 Å. The U(5)-O(23) bond length is 1.98 Å. The U(5)-O(4) bond length is 2.26 Å. In the sixth U site, U(6) is bonded to one O(18), one O(2), one O(22), one O(24), one O(6), and one O(9) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. The U(6)-O(18) bond length is 2.14 Å. The U(6)-O(2) bond length is 2.34 Å. The U(6)-O(22) bond length is 2.17 Å. The U(6)-O(24) bond length is 2.22 Å. The U(6)-O(6) bond length is 2.14 Å. The U(6)-O(9) bond length is 2.17 Å. In the seventh U site, U(7) is bonded to one O(1), one O(17), one O(19), one O(24), one O(5), and one O(8) atom to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. The U(7)-O(1) bond length is 1.98 Å. The U(7)-O(17) bond length is 2.26 Å. The U(7)-O(19) bond length is 2.28 Å. The U(7)-O(24) bond length is 2.12 Å. The U(7)-O(5) bond length is 2.24 Å. The U(7)-O(8) bond length is 2.28 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(4), and one U(7) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(5), one U(5), and one U(6) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one U(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(6), one U(1), and one U(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(7), one U(3), and one U(7) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(7), one U(4), and one U(6) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one U(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one U(1), and one U(7) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one U(2), and one U(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), one U(3), and one U(5) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one U(1) and one U(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(7), one U(3), and one U(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(5), one U(1), and one U(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ba(4), two equivalent Ba(2), one U(2), and one U(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(5), one Ba(6), one U(1), and one U(5) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one U(2) atom. In the seventeenth O site, O(17) is bonded in a distorted linear geometry to one Ba(2), one Ba(4), one Ba(7), one U(3), and one U(7) atom. In the eighteenth O site, O(18) is bonded in a distorted linear geometry to one Ba(7), one U(4), and one U(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one U(1), and one U(7) atom. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(7), and one U(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(5), one Ba(7), one U(3), and one U(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one U(2), and one U(6) atom. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Ba(7), two equivalent Ba(3), and one U(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Ba(6), one U(6), and one U(7) atom.