Sr5V3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), four equivalent O(3), and two equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. 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 V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. Cl(1) is bonded to six equivalent Sr(1) atoms to form face-sharing ClSr6 octahedra.
Sr5V3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), four equivalent O(3), and two equivalent Cl(1) atoms. The Sr(1)-O(1) bond length is 2.48 Å. The Sr(1)-O(2) bond length is 3.18 Å. There are two shorter (2.52 Å) and two longer (2.67 Å) Sr(1)-O(3) bond lengths. Both Sr(1)-Cl(1) bond lengths are 3.21 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. All Sr(2)-O(1) bond lengths are 2.63 Å. All Sr(2)-O(2) bond lengths are 2.57 Å. All Sr(2)-O(3) bond lengths are 3.01 Å. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The V(1)-O(1) bond length is 1.76 Å. The V(1)-O(2) bond length is 1.74 Å. Both V(1)-O(3) bond lengths are 1.74 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 V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Sr(2), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one V(1) atom. Cl(1) is bonded to six equivalent Sr(1) atoms to form face-sharing ClSr6 octahedra.