NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Re(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(2)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Re site, Re(2) is bonded to one O(3), one O(5), one O(7), one O(9), and two equivalent O(6) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the third Re site, Re(3) is bonded to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra, corners with three equivalent Re(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the fourth Re site, Re(4) is bonded to one O(1), one O(10), one O(12), one O(2), and two equivalent O(11) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(9), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Re(4)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(7), one O(8), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(4)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Re(4) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Re(1), one Re(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Re(2) and two equivalent Ni(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(3) and two equivalent Re(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Re(1), one Re(3), and one Ni(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Re(2), one Re(3), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Re(3), one Re(4), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Re(3) and two equivalent Re(4) atoms. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(2) atom.
NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Re(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(2)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Re(1)-O(12) bond length is 1.99 Å. The Re(1)-O(2) bond length is 1.99 Å. The Re(1)-O(3) bond length is 2.01 Å. The Re(1)-O(4) bond length is 1.92 Å. The Re(1)-O(7) bond length is 2.03 Å. The Re(1)-O(8) bond length is 1.96 Å. In the second Re site, Re(2) is bonded to one O(3), one O(5), one O(7), one O(9), and two equivalent O(6) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. The Re(2)-O(3) bond length is 2.01 Å. The Re(2)-O(5) bond length is 1.86 Å. The Re(2)-O(7) bond length is 2.00 Å. The Re(2)-O(9) bond length is 1.98 Å. Both Re(2)-O(6) bond lengths are 2.02 Å. In the third Re site, Re(3) is bonded to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra, corners with three equivalent Re(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. The Re(3)-O(10) bond length is 1.97 Å. The Re(3)-O(11) bond length is 2.03 Å. The Re(3)-O(4) bond length is 1.95 Å. The Re(3)-O(6) bond length is 2.00 Å. The Re(3)-O(8) bond length is 1.95 Å. The Re(3)-O(9) bond length is 1.95 Å. In the fourth Re site, Re(4) is bonded to one O(1), one O(10), one O(12), one O(2), and two equivalent O(11) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. The Re(4)-O(1) bond length is 1.85 Å. The Re(4)-O(10) bond length is 1.95 Å. The Re(4)-O(12) bond length is 1.97 Å. The Re(4)-O(2) bond length is 1.98 Å. Both Re(4)-O(11) bond lengths are 2.10 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(9), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Re(4)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Ni(1)-O(2) bond length is 2.05 Å. The Ni(1)-O(3) bond length is 2.06 Å. The Ni(1)-O(4) bond length is 2.13 Å. The Ni(1)-O(9) bond length is 2.09 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Ni(1)-O(5) bond length. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(7), one O(8), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(4)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Ni(2)-O(10) bond length is 2.14 Å. The Ni(2)-O(12) bond length is 2.05 Å. The Ni(2)-O(7) bond length is 2.07 Å. The Ni(2)-O(8) bond length is 2.06 Å. Both Ni(2)-O(1) bond lengths are 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Re(4) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Re(1), one Re(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Re(2) and two equivalent Ni(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(3) and two equivalent Re(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Re(1), one Re(3), and one Ni(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Re(2), one Re(3), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Re(3), one Re(4), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Re(3) and two equivalent Re(4) atoms. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(2) atom.