NiU2O6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with four equivalent Ni(2)O6 octahedra, corners with six equivalent U(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with six equivalent U(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent U(2)O6 octahedra and edges with three equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Ni site, Ni(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent U(1)O6 octahedra and edges with three equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one U(1), one U(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Ni(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Ni(2) atom.
NiU2O6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with four equivalent Ni(2)O6 octahedra, corners with six equivalent U(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Both U(1)-O(1) bond lengths are 2.15 Å. Both U(1)-O(2) bond lengths are 2.15 Å. Both U(1)-O(3) bond lengths are 2.23 Å. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with six equivalent U(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. Both U(2)-O(1) bond lengths are 2.19 Å. Both U(2)-O(2) bond lengths are 2.19 Å. Both U(2)-O(3) bond lengths are 2.12 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent U(2)O6 octahedra and edges with three equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Ni(1)-O(1) bond lengths are 2.09 Å. In the second Ni site, Ni(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent U(1)O6 octahedra and edges with three equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. All Ni(2)-O(2) bond lengths are 2.11 Å. All Ni(2)-O(3) bond lengths are 2.10 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one U(1), one U(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Ni(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Ni(2) atom.