BaMo2(P2O7)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one P(2) atom. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the seventh O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom.
BaMo2(P2O7)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. Both Ba(1)-O(1) bond lengths are 2.91 Å. Both Ba(1)-O(2) bond lengths are 3.19 Å. Both Ba(1)-O(3) bond lengths are 3.06 Å. Both Ba(1)-O(6) bond lengths are 2.84 Å. Both Ba(1)-O(7) bond lengths are 3.01 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Both Mo(1)-O(1) bond lengths are 2.17 Å. Both Mo(1)-O(3) bond lengths are 2.14 Å. Both Mo(1)-O(7) bond lengths are 2.14 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. Both Mo(2)-O(2) bond lengths are 2.16 Å. Both Mo(2)-O(5) bond lengths are 2.13 Å. Both Mo(2)-O(6) bond lengths are 2.18 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.63 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. The P(2)-O(4) bond length is 1.62 Å. The P(2)-O(5) bond length is 1.51 Å. The P(2)-O(6) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.53 Å. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one P(2) atom. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the seventh O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom.