Sr3UO6 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), two equivalent Sr(3), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one U(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one U(1) atom. In the fourth O site, O(4) is bonded to one Sr(1), two equivalent Sr(2), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one U(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one U(1) atom.
Sr3UO6 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. The Sr(1)-O(1) bond length is 2.51 Å. The Sr(1)-O(2) bond length is 2.47 Å. The Sr(1)-O(3) bond length is 2.53 Å. The Sr(1)-O(4) bond length is 2.51 Å. The Sr(1)-O(5) bond length is 2.48 Å. The Sr(1)-O(6) bond length is 2.51 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. The Sr(2)-O(3) bond length is 3.17 Å. The Sr(2)-O(5) bond length is 3.03 Å. There is one shorter (2.51 Å) and one longer (3.06 Å) Sr(2)-O(2) bond length. There is one shorter (2.51 Å) and one longer (2.57 Å) Sr(2)-O(4) bond length. There is one shorter (2.53 Å) and one longer (2.87 Å) Sr(2)-O(6) bond length. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. The Sr(3)-O(2) bond length is 2.96 Å. The Sr(3)-O(6) bond length is 3.23 Å. There is one shorter (2.49 Å) and one longer (2.60 Å) Sr(3)-O(1) bond length. There is one shorter (2.51 Å) and one longer (2.91 Å) Sr(3)-O(3) bond length. There is one shorter (2.52 Å) and one longer (2.97 Å) Sr(3)-O(5) bond length. U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. The U(1)-O(1) bond length is 2.11 Å. The U(1)-O(2) bond length is 2.08 Å. The U(1)-O(3) bond length is 2.11 Å. The U(1)-O(4) bond length is 2.11 Å. The U(1)-O(5) bond length is 2.08 Å. The U(1)-O(6) bond length is 2.11 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), two equivalent Sr(3), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one U(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one U(1) atom. In the fourth O site, O(4) is bonded to one Sr(1), two equivalent Sr(2), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one U(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one U(1) atom.