(Mo2Ni2O9)4O2 crystallizes in the triclinic P1 space group. The structure consists of one water atom inside a Mo2Ni2O9 framework. In the Mo2Ni2O9 framework, there are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(13), one O(5), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-62°. In the second Mo site, Mo(2) is bonded to one O(10), one O(12), one O(14), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-63°. In the third Mo site, Mo(3) is bonded to one O(1), one O(15), one O(17), and one O(3) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-63°. In the fourth Mo site, Mo(4) is bonded to one O(16), one O(18), one O(2), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-63°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(18), one O(3), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, and  an edgeedge with one Ni(3)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(12), one O(13), one O(17), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form NiO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(12), one O(15), one O(2), one O(4), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(3), one Ni(3), and one Ni(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(4), one Ni(3), and one Ni(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(3), one Ni(1), and one Ni(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(4), one Ni(2), and one Ni(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Ni(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Ni(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ni(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ni(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(1) and one Ni(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(2) and one Ni(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mo(1), one Ni(1), and one Ni(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(2), one Ni(2), and one Ni(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(1) and one Ni(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mo(2) and one Ni(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mo(3) and one Ni(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mo(4) and one Ni(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Mo(3) and one Ni(2) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Mo(4) and one Ni(1) atom.
(Mo2Ni2O9)4O2 crystallizes in the triclinic P1 space group. The structure consists of one water atom inside a Mo2Ni2O9 framework. In the Mo2Ni2O9 framework, there are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(13), one O(5), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-62°. The Mo(1)-O(11) bond length is 1.86 Å. The Mo(1)-O(13) bond length is 1.77 Å. The Mo(1)-O(5) bond length is 1.78 Å. The Mo(1)-O(9) bond length is 1.78 Å. In the second Mo site, Mo(2) is bonded to one O(10), one O(12), one O(14), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-63°. The Mo(2)-O(10) bond length is 1.79 Å. The Mo(2)-O(12) bond length is 1.86 Å. The Mo(2)-O(14) bond length is 1.77 Å. The Mo(2)-O(6) bond length is 1.78 Å. In the third Mo site, Mo(3) is bonded to one O(1), one O(15), one O(17), and one O(3) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-63°. The Mo(3)-O(1) bond length is 1.83 Å. The Mo(3)-O(15) bond length is 1.75 Å. The Mo(3)-O(17) bond length is 1.77 Å. The Mo(3)-O(3) bond length is 1.85 Å. In the fourth Mo site, Mo(4) is bonded to one O(16), one O(18), one O(2), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-63°. The Mo(4)-O(16) bond length is 1.76 Å. The Mo(4)-O(18) bond length is 1.77 Å. The Mo(4)-O(2) bond length is 1.83 Å. The Mo(4)-O(4) bond length is 1.85 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(14), one O(18), one O(3), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, and  an edgeedge with one Ni(3)O6 octahedra. The Ni(1)-O(11) bond length is 2.09 Å. The Ni(1)-O(14) bond length is 2.02 Å. The Ni(1)-O(18) bond length is 2.12 Å. The Ni(1)-O(3) bond length is 2.15 Å. The Ni(1)-O(5) bond length is 2.04 Å. The Ni(1)-O(7) bond length is 1.87 Å. In the second Ni site, Ni(2) is bonded to one O(12), one O(13), one O(17), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Ni(4)O6 octahedra. The Ni(2)-O(12) bond length is 2.09 Å. The Ni(2)-O(13) bond length is 2.02 Å. The Ni(2)-O(17) bond length is 2.11 Å. The Ni(2)-O(4) bond length is 2.15 Å. The Ni(2)-O(6) bond length is 2.04 Å. The Ni(2)-O(8) bond length is 1.86 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(11), one O(16), one O(2), and one O(3) atom to form NiO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. The Ni(3)-O(1) bond length is 2.06 Å. The Ni(3)-O(10) bond length is 2.05 Å. The Ni(3)-O(11) bond length is 2.09 Å. The Ni(3)-O(16) bond length is 2.00 Å. The Ni(3)-O(2) bond length is 2.13 Å. The Ni(3)-O(3) bond length is 2.07 Å. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(12), one O(15), one O(2), one O(4), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The Ni(4)-O(1) bond length is 2.13 Å. The Ni(4)-O(12) bond length is 2.09 Å. The Ni(4)-O(15) bond length is 2.00 Å. The Ni(4)-O(2) bond length is 2.06 Å. The Ni(4)-O(4) bond length is 2.07 Å. The Ni(4)-O(9) bond length is 2.06 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(3), one Ni(3), and one Ni(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(4), one Ni(3), and one Ni(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(3), one Ni(1), and one Ni(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(4), one Ni(2), and one Ni(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Ni(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Ni(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ni(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ni(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(1) and one Ni(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(2) and one Ni(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mo(1), one Ni(1), and one Ni(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(2), one Ni(2), and one Ni(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(1) and one Ni(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mo(2) and one Ni(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mo(3) and one Ni(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mo(4) and one Ni(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Mo(3) and one Ni(2) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Mo(4) and one Ni(1) atom.