Re3NiO8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ReO6 octahedra that share corners with four equivalent Re(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second Re site, Re(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form ReO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-50°. Ni(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Re(2) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped 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(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(2) and two equivalent Re(1) atoms.
Re3NiO8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ReO6 octahedra that share corners with four equivalent Re(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. The Re(1)-O(1) bond length is 2.01 Å. The Re(1)-O(2) bond length is 2.09 Å. The Re(1)-O(3) bond length is 1.95 Å. The Re(1)-O(4) bond length is 1.95 Å. The Re(1)-O(5) bond length is 1.97 Å. The Re(1)-O(6) bond length is 2.01 Å. In the second Re site, Re(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form ReO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-50°. The Re(2)-O(2) bond length is 2.00 Å. The Re(2)-O(6) bond length is 1.98 Å. Both Re(2)-O(3) bond lengths are 1.95 Å. Both Re(2)-O(4) bond lengths are 1.96 Å. Ni(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. The Ni(1)-O(1) bond length is 2.09 Å. The Ni(1)-O(5) bond length is 2.06 Å. Both Ni(1)-O(3) bond lengths are 2.07 Å. Both Ni(1)-O(4) bond lengths are 2.06 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Re(2) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped 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(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(2) and two equivalent Re(1) atoms.