Sr3UO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one U(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one U(1) atom. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra.
Sr3UO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. Both Sr(1)-O(1) bond lengths are 2.50 Å. Both Sr(1)-O(2) bond lengths are 2.45 Å. Both Sr(1)-O(3) bond lengths are 2.51 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. There is one shorter (2.51 Å) and one longer (2.74 Å) Sr(2)-O(1) bond length. There is one shorter (2.49 Å) and one longer (2.57 Å) Sr(2)-O(3) bond length. There are a spread of Sr(2)-O(2) bond distances ranging from 2.51-2.99 Å. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. Both U(1)-O(1) bond lengths are 2.11 Å. Both U(1)-O(2) bond lengths are 2.07 Å. Both U(1)-O(3) bond lengths are 2.09 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one U(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one U(1) atom. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra.