Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) 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 two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(2)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. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)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. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four 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 V(2) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form distorted OSr4Mo2 octahedra that share corners with six equivalent O(2)Sr4Mo2 octahedra, corners with eight equivalent O(3)Sr4VMo octahedra, corners with eight equivalent O(4)Sr4VMo octahedra, faces with four equivalent O(3)Sr4VMo octahedra, and faces with four equivalent O(4)Sr4VMo 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), one V(2), and one Mo(2) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with twelve equivalent O(4)Sr4VMo octahedra, edges with two equivalent O(3)Sr4VMo octahedra, edges with two equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, and faces with four equivalent O(3)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(4)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with twelve equivalent O(3)Sr4VMo octahedra, edges with two equivalent O(3)Sr4VMo octahedra, edges with two equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, and faces with four equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°.
Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) 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 two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. Both Sr(1)-O(1) bond lengths are 2.83 Å. Both Sr(1)-O(2) bond lengths are 2.83 Å. All Sr(1)-O(3) bond lengths are 2.83 Å. All Sr(1)-O(4) bond lengths are 2.83 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(2)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 V(1)-O(1) bond lengths are 1.92 Å. All V(1)-O(4) bond lengths are 1.92 Å. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both V(2)-O(1) bond lengths are 2.09 Å. All V(2)-O(3) bond lengths are 1.99 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)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 Mo(1)-O(2) bond lengths are 2.07 Å. All Mo(1)-O(4) bond lengths are 2.09 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Mo(2)-O(2) bond lengths are 1.93 Å. All Mo(2)-O(3) bond lengths are 2.01 Å. There are four 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 V(2) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form distorted OSr4Mo2 octahedra that share corners with six equivalent O(2)Sr4Mo2 octahedra, corners with eight equivalent O(3)Sr4VMo octahedra, corners with eight equivalent O(4)Sr4VMo octahedra, faces with four equivalent O(3)Sr4VMo octahedra, and faces with four equivalent O(4)Sr4VMo 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), one V(2), and one Mo(2) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with twelve equivalent O(4)Sr4VMo octahedra, edges with two equivalent O(3)Sr4VMo octahedra, edges with two equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, and faces with four equivalent O(3)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(4)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with twelve equivalent O(3)Sr4VMo octahedra, edges with two equivalent O(3)Sr4VMo octahedra, edges with two equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, and faces with four equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°.