Sr2VMoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)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(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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 four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-19°. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) 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 four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom.
Sr2VMoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.79 Å) and one longer (2.90 Å) Sr(1)-O(1) bond length. There is one shorter (2.60 Å) and one longer (3.10 Å) Sr(1)-O(2) bond length. There is one shorter (2.61 Å) and one longer (2.81 Å) Sr(1)-O(3) bond length. There is one shorter (2.58 Å) and one longer (2.86 Å) Sr(1)-O(4) bond length. There is one shorter (2.76 Å) and one longer (3.09 Å) Sr(1)-O(5) bond length. There is one shorter (2.69 Å) and one longer (3.20 Å) Sr(1)-O(6) bond length. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)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 is one shorter (2.60 Å) and one longer (3.10 Å) Sr(2)-O(1) bond length. There is one shorter (2.79 Å) and one longer (2.91 Å) Sr(2)-O(2) bond length. There is one shorter (2.61 Å) and one longer (2.81 Å) Sr(2)-O(3) bond length. There is one shorter (2.58 Å) and one longer (2.86 Å) Sr(2)-O(4) bond length. There is one shorter (2.77 Å) and one longer (3.11 Å) Sr(2)-O(5) bond length. There is one shorter (2.68 Å) and one longer (3.19 Å) Sr(2)-O(6) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. Both V(1)-O(2) bond lengths are 1.90 Å. Both V(1)-O(3) bond lengths are 2.01 Å. Both V(1)-O(4) bond lengths are 2.02 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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 four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-16°. Both V(2)-O(1) bond lengths are 1.91 Å. Both V(2)-O(3) bond lengths are 2.01 Å. Both V(2)-O(4) bond lengths are 2.02 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-19°. Both Mo(1)-O(1) bond lengths are 2.09 Å. Both Mo(1)-O(5) bond lengths are 2.02 Å. Both Mo(1)-O(6) bond lengths are 2.04 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) 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 four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-19°. Both Mo(2)-O(2) bond lengths are 2.09 Å. Both Mo(2)-O(5) bond lengths are 2.02 Å. Both Mo(2)-O(6) bond lengths are 2.03 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom.