NiAs2O7 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing AsO4 tetrahedra. In the second As site, As(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form corner-sharing AsO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(1) atom. In the second O site, O(7) is bonded in a single-bond geometry to one As(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(2) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(1) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one As(1) atom. In the sixth O site, O(4) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(2) atom.
NiAs2O7 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. The Ni(1)-O(1) bond length is 1.87 Å. The Ni(1)-O(2) bond length is 1.85 Å. The Ni(1)-O(5) bond length is 1.84 Å. The Ni(1)-O(6) bond length is 1.89 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing AsO4 tetrahedra. The As(1)-O(2) bond length is 1.73 Å. The As(1)-O(3) bond length is 1.71 Å. The As(1)-O(4) bond length is 1.79 Å. The As(1)-O(6) bond length is 1.71 Å. In the second As site, As(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form corner-sharing AsO4 tetrahedra. The As(2)-O(1) bond length is 1.72 Å. The As(2)-O(4) bond length is 1.78 Å. The As(2)-O(5) bond length is 1.72 Å. The As(2)-O(7) bond length is 1.71 Å. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(1) atom. In the second O site, O(7) is bonded in a single-bond geometry to one As(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(2) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(1) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one As(1) atom. In the sixth O site, O(4) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one As(2) atom.