Ba2NdMoO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Mo(1) atom.
Ba2NdMoO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are a spread of Ba(1)-O(1) bond distances ranging from 2.79-3.33 Å. There are a spread of Ba(1)-O(2) bond distances ranging from 2.84-3.30 Å. There are a spread of Ba(1)-O(3) bond distances ranging from 2.81-3.37 Å. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. Both Nd(1)-O(1) bond lengths are 2.07 Å. Both Nd(1)-O(2) bond lengths are 2.34 Å. Both Nd(1)-O(3) bond lengths are 2.25 Å. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. Both Mo(1)-O(1) bond lengths are 2.36 Å. Both Mo(1)-O(2) bond lengths are 2.04 Å. Both Mo(1)-O(3) bond lengths are 2.06 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Mo(1) atom.