U17O31 crystallizes in the monoclinic Cm space group. There are seventeen inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to one O(2), one O(28), one O(31), one O(5), two equivalent O(30), and two equivalent O(4) atoms. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(3), one O(30), one O(7), two equivalent O(1), and two equivalent O(5) atoms. In the third U site, U(3) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(5), two equivalent O(3), and two equivalent O(8) atoms. In the fourth U site, U(4) is bonded in a body-centered cubic geometry to one O(1), one O(4), one O(6), one O(8), two equivalent O(2), and two equivalent O(7) atoms. In the fifth U site, U(5) is bonded in a body-centered cubic geometry to one O(12), one O(3), one O(7), one O(9), two equivalent O(10), and two equivalent O(6) atoms. In the sixth U site, U(6) is bonded to one O(10), one O(13), one O(17), two equivalent O(14), and two equivalent O(9) atoms to form distorted edge-sharing UO7 hexagonal pyramids. In the seventh U site, U(7) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(6), one O(8), and two equivalent O(12) atoms. In the eighth U site, U(8) is bonded in a body-centered cubic geometry to one O(12), one O(15), one O(18), one O(9), two equivalent O(11), and two equivalent O(17) atoms. In the ninth U site, U(9) is bonded in a body-centered cubic geometry to one O(11), one O(14), one O(16), one O(20), two equivalent O(13), and two equivalent O(18) atoms. In the tenth U site, U(10) is bonded to one O(13), one O(17), one O(22), two equivalent O(15), and two equivalent O(20) atoms to form a mixture of distorted edge and corner-sharing UO7 hexagonal pyramids. In the eleventh U site, U(11) is bonded in a body-centered cubic geometry to one O(15), one O(18), one O(19), one O(24), two equivalent O(16), and two equivalent O(22) atoms. In the twelfth U site, U(12) is bonded to one O(22), one O(23), one O(27), two equivalent O(19), and two equivalent O(26) atoms to form a mixture of distorted edge and corner-sharing UO7 hexagonal pyramids. In the thirteenth U site, U(13) is bonded in a 6-coordinate geometry to one O(16), one O(20), one O(21), one O(26), and two equivalent O(24) atoms. In the fourteenth U site, U(14) is bonded in a body-centered cubic geometry to one O(19), one O(24), one O(25), one O(29), two equivalent O(21), and two equivalent O(27) atoms. In the fifteenth U site, U(15) is bonded in a body-centered cubic geometry to one O(21), one O(26), one O(28), one O(31), two equivalent O(23), and two equivalent O(29) atoms. In the sixteenth U site, U(16) is bonded in a 7-coordinate geometry to one O(23), one O(27), one O(30), two equivalent O(25), and two equivalent O(31) atoms. In the seventeenth U site, U(17) is bonded in a 6-coordinate geometry to one O(1), one O(25), one O(29), one O(4), and two equivalent O(28) atoms. There are thirty-one inequivalent O sites. In the first O site, O(1) is bonded to one U(17), one U(4), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O site, O(2) is bonded to one U(1), one U(3), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O site, O(3) is bonded to one U(2), one U(5), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O site, O(4) is bonded to one U(17), one U(4), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifth O site, O(5) is bonded to one U(1), one U(3), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixth O site, O(6) is bonded to one U(4), one U(7), and two equivalent U(5) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the seventh O site, O(7) is bonded to one U(2), one U(5), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighth O site, O(8) is bonded to one U(4), one U(7), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the ninth O site, O(9) is bonded to one U(5), one U(8), and two equivalent U(6) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the tenth O site, O(10) is bonded to one U(3), one U(6), and two equivalent U(5) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eleventh O site, O(11) is bonded to one U(7), one U(9), and two equivalent U(8) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twelfth O site, O(12) is bonded to one U(5), one U(8), and two equivalent U(7) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirteenth O site, O(13) is bonded to one U(10), one U(6), and two equivalent U(9) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourteenth O site, O(14) is bonded to one U(7), one U(9), and two equivalent U(6) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifteenth O site, O(15) is bonded to one U(11), one U(8), and two equivalent U(10) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixteenth O site, O(16) is bonded to one U(13), one U(9), and two equivalent U(11) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the seventeenth O site, O(17) is bonded to one U(10), one U(6), and two equivalent U(8) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighteenth O site, O(18) is bonded to one U(11), one U(8), and two equivalent U(9) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the nineteenth O site, O(19) is bonded to one U(11), one U(14), and two equivalent U(12) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twentieth O site, O(20) is bonded to one U(13), one U(9), and two equivalent U(10) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-first O site, O(21) is bonded to one U(13), one U(15), and two equivalent U(14) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-second O site, O(22) is bonded to one U(10), one U(12), and two equivalent U(11) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-third O site, O(23) is bonded to one U(12), one U(16), and two equivalent U(15) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-fourth O site, O(24) is bonded to one U(11), one U(14), and two equivalent U(13) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-fifth O site, O(25) is bonded to one U(14), one U(17), and two equivalent U(16) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-sixth O site, O(26) is bonded to one U(13), one U(15), and two equivalent U(12) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-seventh O site, O(27) is bonded to one U(12), one U(16), and two equivalent U(14) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-eighth O site, O(28) is bonded to one U(1), one U(15), and two equivalent U(17) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-ninth O site, O(29) is bonded to one U(14), one U(17), and two equivalent U(15) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirtieth O site, O(30) is bonded to one U(16), one U(2), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirty-first O site, O(31) is bonded to one U(1), one U(15), and two equivalent U(16) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.
U17O31 crystallizes in the monoclinic Cm space group. There are seventeen inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to one O(2), one O(28), one O(31), one O(5), two equivalent O(30), and two equivalent O(4) atoms. The U(1)-O(2) bond length is 2.40 Å. The U(1)-O(28) bond length is 2.44 Å. The U(1)-O(31) bond length is 2.34 Å. The U(1)-O(5) bond length is 2.34 Å. Both U(1)-O(30) bond lengths are 2.42 Å. Both U(1)-O(4) bond lengths are 2.34 Å. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(3), one O(30), one O(7), two equivalent O(1), and two equivalent O(5) atoms. The U(2)-O(3) bond length is 2.28 Å. The U(2)-O(30) bond length is 2.31 Å. The U(2)-O(7) bond length is 2.30 Å. Both U(2)-O(1) bond lengths are 2.37 Å. Both U(2)-O(5) bond lengths are 2.35 Å. In the third U site, U(3) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(5), two equivalent O(3), and two equivalent O(8) atoms. The U(3)-O(10) bond length is 2.31 Å. The U(3)-O(2) bond length is 2.30 Å. The U(3)-O(5) bond length is 2.28 Å. Both U(3)-O(3) bond lengths are 2.34 Å. Both U(3)-O(8) bond lengths are 2.39 Å. In the fourth U site, U(4) is bonded in a body-centered cubic geometry to one O(1), one O(4), one O(6), one O(8), two equivalent O(2), and two equivalent O(7) atoms. The U(4)-O(1) bond length is 2.50 Å. The U(4)-O(4) bond length is 2.38 Å. The U(4)-O(6) bond length is 2.38 Å. The U(4)-O(8) bond length is 2.53 Å. Both U(4)-O(2) bond lengths are 2.36 Å. Both U(4)-O(7) bond lengths are 2.35 Å. In the fifth U site, U(5) is bonded in a body-centered cubic geometry to one O(12), one O(3), one O(7), one O(9), two equivalent O(10), and two equivalent O(6) atoms. The U(5)-O(12) bond length is 2.47 Å. The U(5)-O(3) bond length is 2.33 Å. The U(5)-O(7) bond length is 2.39 Å. The U(5)-O(9) bond length is 2.34 Å. Both U(5)-O(10) bond lengths are 2.41 Å. Both U(5)-O(6) bond lengths are 2.34 Å. In the sixth U site, U(6) is bonded to one O(10), one O(13), one O(17), two equivalent O(14), and two equivalent O(9) atoms to form distorted edge-sharing UO7 hexagonal pyramids. The U(6)-O(10) bond length is 2.30 Å. The U(6)-O(13) bond length is 2.34 Å. The U(6)-O(17) bond length is 2.29 Å. Both U(6)-O(14) bond lengths are 2.39 Å. Both U(6)-O(9) bond lengths are 2.35 Å. In the seventh U site, U(7) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(6), one O(8), and two equivalent O(12) atoms. The U(7)-O(11) bond length is 2.33 Å. The U(7)-O(14) bond length is 2.24 Å. The U(7)-O(6) bond length is 2.36 Å. The U(7)-O(8) bond length is 2.23 Å. Both U(7)-O(12) bond lengths are 2.25 Å. In the eighth U site, U(8) is bonded in a body-centered cubic geometry to one O(12), one O(15), one O(18), one O(9), two equivalent O(11), and two equivalent O(17) atoms. The U(8)-O(12) bond length is 2.44 Å. The U(8)-O(15) bond length is 2.32 Å. The U(8)-O(18) bond length is 2.34 Å. The U(8)-O(9) bond length is 2.34 Å. Both U(8)-O(11) bond lengths are 2.35 Å. Both U(8)-O(17) bond lengths are 2.36 Å. In the ninth U site, U(9) is bonded in a body-centered cubic geometry to one O(11), one O(14), one O(16), one O(20), two equivalent O(13), and two equivalent O(18) atoms. The U(9)-O(11) bond length is 2.35 Å. The U(9)-O(14) bond length is 2.56 Å. The U(9)-O(16) bond length is 2.37 Å. The U(9)-O(20) bond length is 2.51 Å. Both U(9)-O(13) bond lengths are 2.36 Å. Both U(9)-O(18) bond lengths are 2.34 Å. In the tenth U site, U(10) is bonded to one O(13), one O(17), one O(22), two equivalent O(15), and two equivalent O(20) atoms to form a mixture of distorted edge and corner-sharing UO7 hexagonal pyramids. The U(10)-O(13) bond length is 2.33 Å. The U(10)-O(17) bond length is 2.28 Å. The U(10)-O(22) bond length is 2.31 Å. Both U(10)-O(15) bond lengths are 2.35 Å. Both U(10)-O(20) bond lengths are 2.38 Å. In the eleventh U site, U(11) is bonded in a body-centered cubic geometry to one O(15), one O(18), one O(19), one O(24), two equivalent O(16), and two equivalent O(22) atoms. The U(11)-O(15) bond length is 2.33 Å. The U(11)-O(18) bond length is 2.35 Å. The U(11)-O(19) bond length is 2.34 Å. The U(11)-O(24) bond length is 2.45 Å. Both U(11)-O(16) bond lengths are 2.34 Å. Both U(11)-O(22) bond lengths are 2.42 Å. In the twelfth U site, U(12) is bonded to one O(22), one O(23), one O(27), two equivalent O(19), and two equivalent O(26) atoms to form a mixture of distorted edge and corner-sharing UO7 hexagonal pyramids. The U(12)-O(22) bond length is 2.30 Å. The U(12)-O(23) bond length is 2.30 Å. The U(12)-O(27) bond length is 2.31 Å. Both U(12)-O(19) bond lengths are 2.35 Å. Both U(12)-O(26) bond lengths are 2.38 Å. In the thirteenth U site, U(13) is bonded in a 6-coordinate geometry to one O(16), one O(20), one O(21), one O(26), and two equivalent O(24) atoms. The U(13)-O(16) bond length is 2.33 Å. The U(13)-O(20) bond length is 2.28 Å. The U(13)-O(21) bond length is 2.32 Å. The U(13)-O(26) bond length is 2.30 Å. Both U(13)-O(24) bond lengths are 2.25 Å. In the fourteenth U site, U(14) is bonded in a body-centered cubic geometry to one O(19), one O(24), one O(25), one O(29), two equivalent O(21), and two equivalent O(27) atoms. The U(14)-O(19) bond length is 2.34 Å. The U(14)-O(24) bond length is 2.44 Å. The U(14)-O(25) bond length is 2.48 Å. The U(14)-O(29) bond length is 2.33 Å. Both U(14)-O(21) bond lengths are 2.35 Å. Both U(14)-O(27) bond lengths are 2.36 Å. In the fifteenth U site, U(15) is bonded in a body-centered cubic geometry to one O(21), one O(26), one O(28), one O(31), two equivalent O(23), and two equivalent O(29) atoms. The U(15)-O(21) bond length is 2.33 Å. The U(15)-O(26) bond length is 2.49 Å. The U(15)-O(28) bond length is 2.44 Å. The U(15)-O(31) bond length is 2.34 Å. Both U(15)-O(23) bond lengths are 2.36 Å. Both U(15)-O(29) bond lengths are 2.35 Å. In the sixteenth U site, U(16) is bonded in a 7-coordinate geometry to one O(23), one O(27), one O(30), two equivalent O(25), and two equivalent O(31) atoms. The U(16)-O(23) bond length is 2.31 Å. The U(16)-O(27) bond length is 2.30 Å. The U(16)-O(30) bond length is 2.29 Å. Both U(16)-O(25) bond lengths are 2.38 Å. Both U(16)-O(31) bond lengths are 2.35 Å. In the seventeenth U site, U(17) is bonded in a 6-coordinate geometry to one O(1), one O(25), one O(29), one O(4), and two equivalent O(28) atoms. The U(17)-O(1) bond length is 2.28 Å. The U(17)-O(25) bond length is 2.30 Å. The U(17)-O(29) bond length is 2.32 Å. The U(17)-O(4) bond length is 2.34 Å. Both U(17)-O(28) bond lengths are 2.25 Å. There are thirty-one inequivalent O sites. In the first O site, O(1) is bonded to one U(17), one U(4), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the second O site, O(2) is bonded to one U(1), one U(3), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the third O site, O(3) is bonded to one U(2), one U(5), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourth O site, O(4) is bonded to one U(17), one U(4), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifth O site, O(5) is bonded to one U(1), one U(3), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixth O site, O(6) is bonded to one U(4), one U(7), and two equivalent U(5) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the seventh O site, O(7) is bonded to one U(2), one U(5), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighth O site, O(8) is bonded to one U(4), one U(7), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the ninth O site, O(9) is bonded to one U(5), one U(8), and two equivalent U(6) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the tenth O site, O(10) is bonded to one U(3), one U(6), and two equivalent U(5) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eleventh O site, O(11) is bonded to one U(7), one U(9), and two equivalent U(8) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twelfth O site, O(12) is bonded to one U(5), one U(8), and two equivalent U(7) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirteenth O site, O(13) is bonded to one U(10), one U(6), and two equivalent U(9) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fourteenth O site, O(14) is bonded to one U(7), one U(9), and two equivalent U(6) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the fifteenth O site, O(15) is bonded to one U(11), one U(8), and two equivalent U(10) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the sixteenth O site, O(16) is bonded to one U(13), one U(9), and two equivalent U(11) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the seventeenth O site, O(17) is bonded to one U(10), one U(6), and two equivalent U(8) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the eighteenth O site, O(18) is bonded to one U(11), one U(8), and two equivalent U(9) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the nineteenth O site, O(19) is bonded to one U(11), one U(14), and two equivalent U(12) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twentieth O site, O(20) is bonded to one U(13), one U(9), and two equivalent U(10) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-first O site, O(21) is bonded to one U(13), one U(15), and two equivalent U(14) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-second O site, O(22) is bonded to one U(10), one U(12), and two equivalent U(11) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-third O site, O(23) is bonded to one U(12), one U(16), and two equivalent U(15) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-fourth O site, O(24) is bonded to one U(11), one U(14), and two equivalent U(13) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-fifth O site, O(25) is bonded to one U(14), one U(17), and two equivalent U(16) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-sixth O site, O(26) is bonded to one U(13), one U(15), and two equivalent U(12) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-seventh O site, O(27) is bonded to one U(12), one U(16), and two equivalent U(14) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-eighth O site, O(28) is bonded to one U(1), one U(15), and two equivalent U(17) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the twenty-ninth O site, O(29) is bonded to one U(14), one U(17), and two equivalent U(15) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirtieth O site, O(30) is bonded to one U(16), one U(2), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra. In the thirty-first O site, O(31) is bonded to one U(1), one U(15), and two equivalent U(16) atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.