NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one Ni(1) atom.
NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. Both Re(1)-O(1) bond lengths are 1.96 Å. There are two shorter (1.96 Å) and two longer (2.03 Å) Re(1)-O(2) bond lengths. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. Both Ni(1)-O(1) bond lengths are 1.89 Å. All Ni(1)-O(2) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one Ni(1) atom.