Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent V(1) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(2)Sr4V2 octahedra, corners with twelve equivalent O(3)Sr4Mo2 octahedra, edges with two equivalent O(3)Sr4Mo2 octahedra, edges with two equivalent O(2)Sr4V2 octahedra, and faces with four equivalent O(2)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Mo(1) atoms to form distorted OSr4Mo2 octahedra that share corners with two equivalent O(3)Sr4Mo2 octahedra, corners with twelve equivalent O(2)Sr4V2 octahedra, edges with two equivalent O(3)Sr4Mo2 octahedra, edges with two equivalent O(2)Sr4V2 octahedra, and faces with four equivalent O(3)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.86 Å. All Sr(1)-O(2) bond lengths are 2.73 Å. All Sr(1)-O(3) bond lengths are 2.90 Å. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both V(1)-O(1) bond lengths are 1.89 Å. All V(1)-O(2) bond lengths are 2.02 Å. Mo(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Mo(1)-O(1) bond lengths are 2.03 Å. All Mo(1)-O(3) bond lengths are 2.02 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent V(1) atoms to form distorted OSr4V2 octahedra that share corners with two equivalent O(2)Sr4V2 octahedra, corners with twelve equivalent O(3)Sr4Mo2 octahedra, edges with two equivalent O(3)Sr4Mo2 octahedra, edges with two equivalent O(2)Sr4V2 octahedra, and faces with four equivalent O(2)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Mo(1) atoms to form distorted OSr4Mo2 octahedra that share corners with two equivalent O(3)Sr4Mo2 octahedra, corners with twelve equivalent O(2)Sr4V2 octahedra, edges with two equivalent O(3)Sr4Mo2 octahedra, edges with two equivalent O(2)Sr4V2 octahedra, and faces with four equivalent O(3)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.