BaMo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing MoO4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(2) and three equivalent O(1) atoms to form distorted corner-sharing MoO4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Mo(2) and three equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Mo(1) atoms.
BaMo4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. All Ba(1)-O(3) bond lengths are 2.64 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing MoO4 tetrahedra. The Mo(1)-O(1) bond length is 2.02 Å. The Mo(1)-O(2) bond length is 2.32 Å. Both Mo(1)-O(3) bond lengths are 2.03 Å. In the second Mo site, Mo(2) is bonded to one O(2) and three equivalent O(1) atoms to form distorted corner-sharing MoO4 trigonal pyramids. The Mo(2)-O(2) bond length is 2.01 Å. All Mo(2)-O(1) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Mo(2) and three equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Mo(1) atoms.