Ba2MgMo4(P2O7)4 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded to two equivalent O(13) and two equivalent O(6) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Mo(1)O5 trigonal bipyramids. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(13), one O(14), one O(2), and one O(5) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the third Mo site, Mo(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-51°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-48°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mo(3) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Mo(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ba(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(3) atom.
Ba2MgMo4(P2O7)4 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. The Ba(1)-O(1) bond length is 2.73 Å. The Ba(1)-O(10) bond length is 3.02 Å. The Ba(1)-O(11) bond length is 2.97 Å. The Ba(1)-O(14) bond length is 2.88 Å. The Ba(1)-O(2) bond length is 2.80 Å. The Ba(1)-O(3) bond length is 3.04 Å. The Ba(1)-O(5) bond length is 2.68 Å. The Ba(1)-O(6) bond length is 3.41 Å. The Ba(1)-O(7) bond length is 3.05 Å. Mg(1) is bonded to two equivalent O(13) and two equivalent O(6) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Mo(1)O5 trigonal bipyramids. Both Mg(1)-O(13) bond lengths are 1.98 Å. Both Mg(1)-O(6) bond lengths are 1.96 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(13), one O(14), one O(2), and one O(5) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Mo(1)-O(1) bond length is 2.21 Å. The Mo(1)-O(13) bond length is 2.28 Å. The Mo(1)-O(14) bond length is 2.17 Å. The Mo(1)-O(2) bond length is 2.25 Å. The Mo(1)-O(5) bond length is 2.50 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Both Mo(2)-O(11) bond lengths are 2.18 Å. Both Mo(2)-O(3) bond lengths are 2.15 Å. Both Mo(2)-O(8) bond lengths are 2.15 Å. In the third Mo site, Mo(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Both Mo(3)-O(10) bond lengths are 2.21 Å. Both Mo(3)-O(4) bond lengths are 2.11 Å. Both Mo(3)-O(9) bond lengths are 2.17 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.51 Å. The P(1)-O(7) bond length is 1.64 Å. In the second P site, P(2) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. The P(2)-O(12) bond length is 1.63 Å. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(4) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(11), one O(14), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-51°. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(14) bond length is 1.53 Å. The P(3)-O(7) bond length is 1.64 Å. The P(3)-O(9) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-48°. The P(4)-O(10) bond length is 1.54 Å. The P(4)-O(12) bond length is 1.61 Å. The P(4)-O(13) bond length is 1.57 Å. The P(4)-O(8) bond length is 1.51 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mo(3) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Mo(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ba(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(3) atom.