Ba2MgSmMoO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent Sm(1)O6 octahedra and  an edgeedge with one Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-74°. Sm(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SmO6 octahedra that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Mg(1)O4 trigonal pyramid. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Sm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sm(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom.
Ba2MgSmMoO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. The Ba(1)-O(1) bond length is 2.82 Å. The Ba(1)-O(3) bond length is 2.66 Å. The Ba(1)-O(4) bond length is 2.47 Å. The Ba(1)-O(5) bond length is 2.59 Å. The Ba(1)-O(6) bond length is 2.70 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. The Ba(2)-O(2) bond length is 2.76 Å. The Ba(2)-O(3) bond length is 2.82 Å. The Ba(2)-O(6) bond length is 2.99 Å. There is one shorter (2.79 Å) and one longer (3.36 Å) Ba(2)-O(1) bond length. There is one shorter (2.81 Å) and one longer (3.30 Å) Ba(2)-O(4) bond length. There is one shorter (2.80 Å) and one longer (3.29 Å) Ba(2)-O(5) bond length. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent Sm(1)O6 octahedra and  an edgeedge with one Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-74°. The Mg(1)-O(1) bond length is 2.04 Å. The Mg(1)-O(4) bond length is 1.93 Å. The Mg(1)-O(5) bond length is 1.95 Å. The Mg(1)-O(6) bond length is 2.06 Å. Sm(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SmO6 octahedra that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Mg(1)O4 trigonal pyramid. The Sm(1)-O(1) bond length is 2.54 Å. The Sm(1)-O(2) bond length is 2.32 Å. The Sm(1)-O(3) bond length is 2.18 Å. The Sm(1)-O(4) bond length is 2.59 Å. The Sm(1)-O(5) bond length is 2.46 Å. The Sm(1)-O(6) bond length is 2.34 Å. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mo(1)-O(1) bond length is 2.53 Å. The Mo(1)-O(2) bond length is 2.15 Å. The Mo(1)-O(3) bond length is 2.09 Å. The Mo(1)-O(4) bond length is 2.30 Å. The Mo(1)-O(5) bond length is 2.31 Å. The Mo(1)-O(6) bond length is 2.23 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Sm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sm(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom.