Ni6OF11 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form NiOF5 octahedra that share corners with three equivalent Ni(4)OF5 octahedra, corners with five equivalent Ni(2)F6 octahedra,  an edgeedge with one Ni(3)F6 octahedra, and  an edgeedge with one Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Ni site, Ni(2) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form NiF6 octahedra that share corners with three equivalent Ni(3)F6 octahedra, corners with five equivalent Ni(1)OF5 octahedra,  an edgeedge with one Ni(2)F6 octahedra, and  an edgeedge with one Ni(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Ni site, Ni(3) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form NiF6 octahedra that share corners with two equivalent Ni(4)OF5 octahedra, corners with six equivalent Ni(2)F6 octahedra, and edges with two equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth Ni site, Ni(4) is bonded to one O(1), one F(6), two equivalent F(2), and two equivalent F(4) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(3)F6 octahedra, corners with six equivalent Ni(1)OF5 octahedra, and edges with two equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. O(1) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(1) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Ni(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent Ni(1) atoms.
Ni6OF11 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form NiOF5 octahedra that share corners with three equivalent Ni(4)OF5 octahedra, corners with five equivalent Ni(2)F6 octahedra,  an edgeedge with one Ni(3)F6 octahedra, and  an edgeedge with one Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Ni(1)-O(1) bond length is 1.94 Å. The Ni(1)-F(1) bond length is 2.05 Å. The Ni(1)-F(3) bond length is 2.03 Å. The Ni(1)-F(4) bond length is 2.02 Å. The Ni(1)-F(5) bond length is 2.04 Å. The Ni(1)-F(6) bond length is 2.04 Å. In the second Ni site, Ni(2) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form NiF6 octahedra that share corners with three equivalent Ni(3)F6 octahedra, corners with five equivalent Ni(1)OF5 octahedra,  an edgeedge with one Ni(2)F6 octahedra, and  an edgeedge with one Ni(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Ni(2)-F(1) bond length is 2.02 Å. The Ni(2)-F(2) bond length is 2.03 Å. The Ni(2)-F(4) bond length is 2.03 Å. The Ni(2)-F(5) bond length is 2.01 Å. Both Ni(2)-F(3) bond lengths are 2.03 Å. In the third Ni site, Ni(3) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form NiF6 octahedra that share corners with two equivalent Ni(4)OF5 octahedra, corners with six equivalent Ni(2)F6 octahedra, and edges with two equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. Both Ni(3)-F(1) bond lengths are 2.04 Å. Both Ni(3)-F(2) bond lengths are 2.02 Å. Both Ni(3)-F(5) bond lengths are 2.03 Å. In the fourth Ni site, Ni(4) is bonded to one O(1), one F(6), two equivalent F(2), and two equivalent F(4) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(3)F6 octahedra, corners with six equivalent Ni(1)OF5 octahedra, and edges with two equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Ni(4)-O(1) bond length is 1.99 Å. The Ni(4)-F(6) bond length is 2.01 Å. Both Ni(4)-F(2) bond lengths are 2.03 Å. Both Ni(4)-F(4) bond lengths are 2.03 Å. O(1) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(1) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Ni(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent Ni(1) atoms.