Ba2MgVMoO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(2), and six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(2) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Ba(1) and three equivalent O(2) atoms. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one Mo(1) atom.
Ba2MgVMoO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(2), and six equivalent O(1) atoms. The Ba(1)-Mg(1) bond length is 2.76 Å. All Ba(1)-O(2) bond lengths are 2.51 Å. All Ba(1)-O(1) bond lengths are 3.12 Å. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(2) atoms. All Ba(2)-O(1) bond lengths are 2.87 Å. All Ba(2)-O(2) bond lengths are 2.94 Å. Mg(1) is bonded in a 3-coordinate geometry to one Ba(1) and three equivalent O(2) atoms. All Mg(1)-O(2) bond lengths are 1.91 Å. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. All V(1)-O(1) bond lengths are 1.98 Å. All V(1)-O(2) bond lengths are 2.31 Å. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. All Mo(1)-O(1) bond lengths are 2.10 Å. All Mo(1)-O(2) bond lengths are 2.37 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one Mo(1) atom.