Li3U7(AsO7)5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(7), two equivalent O(6), and two equivalent O(9) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one U(1)O6 octahedra, corners with two equivalent U(7)O6 octahedra, and  an edgeedge with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(10), and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(14) and two equivalent O(15) atoms. There are seven inequivalent U sites. In the first U site, U(1) is bonded to one O(20), one O(7), two equivalent O(11), and two equivalent O(16) atoms to form UO6 octahedra that share  a cornercorner with one U(4)O7 pentagonal bipyramid, corners with two equivalent As(3)O4 tetrahedra, corners with two equivalent As(5)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the second U site, U(2) is bonded to one O(21), one O(8), two equivalent O(12), and two equivalent O(15) atoms to form UO6 octahedra that share  a cornercorner with one U(3)O7 pentagonal bipyramid, corners with two equivalent As(4)O4 tetrahedra, and corners with two equivalent As(5)O4 tetrahedra. In the third U site, U(3) is bonded to one O(21), two equivalent O(13), two equivalent O(17), and two equivalent O(3) atoms to form distorted UO7 pentagonal bipyramids that share  a cornercorner with one U(2)O6 octahedra, corners with two equivalent As(3)O4 tetrahedra, and  an edgeedge with one As(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. In the fourth U site, U(4) is bonded to one O(20), two equivalent O(14), two equivalent O(18), and two equivalent O(4) atoms to form distorted UO7 pentagonal bipyramids that share  a cornercorner with one U(1)O6 octahedra, corners with two equivalent As(4)O4 tetrahedra, and  an edgeedge with one As(2)O4 tetrahedra. The corner-sharing octahedra are not tilted. In the fifth U site, U(5) is bonded in a 7-coordinate geometry to one O(19), two equivalent O(17), two equivalent O(3), and two equivalent O(9) atoms. In the sixth U site, U(6) is bonded in a 7-coordinate geometry to one O(19), two equivalent O(10), two equivalent O(18), and two equivalent O(4) atoms. In the seventh U site, U(7) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form UO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. There are five inequivalent As sites. In the first As site, As(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form AsO4 tetrahedra that share corners with two equivalent U(7)O6 octahedra and  an edgeedge with one U(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the second As site, As(2) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with two equivalent U(7)O6 octahedra,  an edgeedge with one U(4)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the third As site, As(3) is bonded to two equivalent O(11) and two equivalent O(17) atoms to form AsO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. In the fourth As site, As(4) is bonded to two equivalent O(12) and two equivalent O(18) atoms to form AsO4 tetrahedra that share corners with two equivalent U(2)O6 octahedra and corners with two equivalent U(4)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 32°. In the fifth As site, As(5) is bonded to two equivalent O(15) and two equivalent O(16) atoms to form AsO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(7) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one U(3), one U(5), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(4), one U(6), and one As(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one U(7), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one U(7), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Li(1) and one U(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(2) and one U(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Li(1) and one U(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(2) and one U(6) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one U(1) and one As(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one U(2) and one As(4) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one U(3) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Li(3) and one U(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(3), one U(2), and one As(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one U(1) and one As(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one U(3), one U(5), and one As(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one U(4), one U(6), and one As(4) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one U(5) and one U(6) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one U(1) and one U(4) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one U(2) and one U(3) atom.
Li3U7(AsO7)5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(7), two equivalent O(6), and two equivalent O(9) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one U(1)O6 octahedra, corners with two equivalent U(7)O6 octahedra, and  an edgeedge with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-50°. The Li(1)-O(7) bond length is 2.53 Å. Both Li(1)-O(6) bond lengths are 2.37 Å. Both Li(1)-O(9) bond lengths are 1.85 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(10), and two equivalent O(5) atoms. The Li(2)-O(8) bond length is 2.59 Å. Both Li(2)-O(10) bond lengths are 1.88 Å. Both Li(2)-O(5) bond lengths are 2.25 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(14) and two equivalent O(15) atoms. Both Li(3)-O(14) bond lengths are 1.90 Å. Both Li(3)-O(15) bond lengths are 2.31 Å. There are seven inequivalent U sites. In the first U site, U(1) is bonded to one O(20), one O(7), two equivalent O(11), and two equivalent O(16) atoms to form UO6 octahedra that share  a cornercorner with one U(4)O7 pentagonal bipyramid, corners with two equivalent As(3)O4 tetrahedra, corners with two equivalent As(5)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The U(1)-O(20) bond length is 1.94 Å. The U(1)-O(7) bond length is 1.82 Å. Both U(1)-O(11) bond lengths are 2.24 Å. Both U(1)-O(16) bond lengths are 2.26 Å. In the second U site, U(2) is bonded to one O(21), one O(8), two equivalent O(12), and two equivalent O(15) atoms to form UO6 octahedra that share  a cornercorner with one U(3)O7 pentagonal bipyramid, corners with two equivalent As(4)O4 tetrahedra, and corners with two equivalent As(5)O4 tetrahedra. The U(2)-O(21) bond length is 1.89 Å. The U(2)-O(8) bond length is 1.82 Å. Both U(2)-O(12) bond lengths are 2.25 Å. Both U(2)-O(15) bond lengths are 2.30 Å. In the third U site, U(3) is bonded to one O(21), two equivalent O(13), two equivalent O(17), and two equivalent O(3) atoms to form distorted UO7 pentagonal bipyramids that share  a cornercorner with one U(2)O6 octahedra, corners with two equivalent As(3)O4 tetrahedra, and  an edgeedge with one As(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. The U(3)-O(21) bond length is 2.41 Å. Both U(3)-O(13) bond lengths are 1.79 Å. Both U(3)-O(17) bond lengths are 2.40 Å. Both U(3)-O(3) bond lengths are 2.55 Å. In the fourth U site, U(4) is bonded to one O(20), two equivalent O(14), two equivalent O(18), and two equivalent O(4) atoms to form distorted UO7 pentagonal bipyramids that share  a cornercorner with one U(1)O6 octahedra, corners with two equivalent As(4)O4 tetrahedra, and  an edgeedge with one As(2)O4 tetrahedra. The corner-sharing octahedra are not tilted. The U(4)-O(20) bond length is 2.31 Å. Both U(4)-O(14) bond lengths are 1.82 Å. Both U(4)-O(18) bond lengths are 2.35 Å. Both U(4)-O(4) bond lengths are 2.51 Å. In the fifth U site, U(5) is bonded in a 7-coordinate geometry to one O(19), two equivalent O(17), two equivalent O(3), and two equivalent O(9) atoms. The U(5)-O(19) bond length is 2.15 Å. Both U(5)-O(17) bond lengths are 2.58 Å. Both U(5)-O(3) bond lengths are 2.40 Å. Both U(5)-O(9) bond lengths are 1.82 Å. In the sixth U site, U(6) is bonded in a 7-coordinate geometry to one O(19), two equivalent O(10), two equivalent O(18), and two equivalent O(4) atoms. The U(6)-O(19) bond length is 2.11 Å. Both U(6)-O(10) bond lengths are 1.83 Å. Both U(6)-O(18) bond lengths are 2.61 Å. Both U(6)-O(4) bond lengths are 2.39 Å. In the seventh U site, U(7) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form UO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The U(7)-O(1) bond length is 1.79 Å. The U(7)-O(2) bond length is 1.82 Å. Both U(7)-O(5) bond lengths are 2.32 Å. Both U(7)-O(6) bond lengths are 2.34 Å. There are five inequivalent As sites. In the first As site, As(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form AsO4 tetrahedra that share corners with two equivalent U(7)O6 octahedra and  an edgeedge with one U(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 42°. Both As(1)-O(3) bond lengths are 1.72 Å. Both As(1)-O(5) bond lengths are 1.71 Å. In the second As site, As(2) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with two equivalent U(7)O6 octahedra,  an edgeedge with one U(4)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. Both As(2)-O(4) bond lengths are 1.73 Å. Both As(2)-O(6) bond lengths are 1.70 Å. In the third As site, As(3) is bonded to two equivalent O(11) and two equivalent O(17) atoms to form AsO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. Both As(3)-O(11) bond lengths are 1.71 Å. Both As(3)-O(17) bond lengths are 1.72 Å. In the fourth As site, As(4) is bonded to two equivalent O(12) and two equivalent O(18) atoms to form AsO4 tetrahedra that share corners with two equivalent U(2)O6 octahedra and corners with two equivalent U(4)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 32°. Both As(4)-O(12) bond lengths are 1.70 Å. Both As(4)-O(18) bond lengths are 1.73 Å. In the fifth As site, As(5) is bonded to two equivalent O(15) and two equivalent O(16) atoms to form AsO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. Both As(5)-O(15) bond lengths are 1.74 Å. Both As(5)-O(16) bond lengths are 1.71 Å. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(7) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one U(3), one U(5), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(4), one U(6), and one As(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one U(7), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one U(7), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Li(1) and one U(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(2) and one U(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Li(1) and one U(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(2) and one U(6) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one U(1) and one As(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one U(2) and one As(4) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one U(3) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Li(3) and one U(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(3), one U(2), and one As(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one U(1) and one As(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one U(3), one U(5), and one As(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one U(4), one U(6), and one As(4) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one U(5) and one U(6) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one U(1) and one U(4) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one U(2) and one U(3) atom.