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(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. In the second Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. In the second Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four Sr(1,1); one V(1); and one Mo(1) atom. In the second O site, O(1) is bonded in a 6-coordinate geometry to four Sr(1,1); one V(1); and one Mo(1) atom. In the third O site, O(2) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms.
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(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. There is one shorter (2.60 Å) and one longer (2.83 Å) Sr(1)-O(2) bond length. There is one shorter (2.59 Å) and one longer (2.85 Å) Sr(1)-O(3) bond length. There is one shorter (2.74 Å) and one longer (3.14 Å) Sr(1)-O(4) bond length. There is one shorter (2.71 Å) and one longer (3.16 Å) Sr(1)-O(5) bond length. There are a spread of Sr(1)-O(1,1) bond distances ranging from 2.60-3.11 Å. In the second Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. There is one shorter (2.60 Å) and one longer (2.83 Å) Sr(1)-O(2) bond length. There is one shorter (2.59 Å) and one longer (2.85 Å) Sr(1)-O(3) bond length. There is one shorter (2.73 Å) and one longer (3.13 Å) Sr(1)-O(4) bond length. There is one shorter (2.72 Å) and one longer (3.17 Å) Sr(1)-O(5) bond length. There are a spread of Sr(1)-O(1,1) bond distances ranging from 2.60-3.11 Å. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. Both V(1)-O(1) bond lengths are 1.91 Å. Both V(1)-O(2) bond lengths are 2.02 Å. Both V(1)-O(3) 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(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. Both Mo(1)-O(1) bond lengths are 2.09 Å. Both Mo(1)-O(4) bond lengths are 2.03 Å. Both Mo(1)-O(5) bond lengths are 2.03 Å. In the second Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. Both Mo(1)-O(1) bond lengths are 2.09 Å. Both Mo(1)-O(4) bond lengths are 2.03 Å. Both Mo(1)-O(5) 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 four Sr(1,1); one V(1); and one Mo(1) atom. The O(1)-V(1) bond length is 1.91 Å. In the second O site, O(1) is bonded in a 6-coordinate geometry to four Sr(1,1); one V(1); and one Mo(1) atom. In the third O site, O(2) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms.