Ni6OF11 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(5), one F(7), two equivalent F(1), and two equivalent F(8) atoms to form NiF6 octahedra that share corners with two equivalent Ni(3)OF5 octahedra, corners with three equivalent Ni(6)F6 octahedra, corners with three equivalent Ni(2)OF5 octahedra,  an edgeedge with one Ni(4)F6 octahedra, and  an edgeedge with one Ni(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Ni site, Ni(2) is bonded to one O(1), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(5)OF5 octahedra, corners with three equivalent Ni(1)F6 octahedra, corners with three equivalent Ni(4)F6 octahedra,  an edgeedge with one Ni(6)F6 octahedra, and  an edgeedge with one Ni(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third Ni site, Ni(3) is bonded to one O(1), one F(3), one F(5), one F(7), and two equivalent F(2) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with three equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra,  an edgeedge with one Ni(6)F6 octahedra, and  an edgeedge with one Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourth Ni site, Ni(4) is bonded to one F(3), one F(6), two equivalent F(1), and two equivalent F(2) atoms to form NiF6 octahedra that share corners with two equivalent Ni(6)F6 octahedra, corners with three equivalent Ni(2)OF5 octahedra, corners with three equivalent Ni(3)OF5 octahedra,  an edgeedge with one Ni(1)F6 octahedra, and  an edgeedge with one Ni(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Ni site, Ni(5) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(8) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(2)OF5 octahedra, corners with three equivalent Ni(6)F6 octahedra, corners with three equivalent Ni(3)OF5 octahedra,  an edgeedge with one Ni(1)F6 octahedra, and  an edgeedge with one Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the sixth Ni site, Ni(6) is bonded to one F(3), one F(4), one F(6), one F(7), and two equivalent F(8) atoms to form NiF6 octahedra that share corners with two equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(1)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra,  an edgeedge with one Ni(2)OF5 octahedra, and  an edgeedge with one Ni(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. O(1) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Ni(5) atom. There are eight 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(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ni(3), one Ni(4), and one Ni(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(3), one Ni(4), and one Ni(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(5), and one Ni(6) atom. In the fifth F site, F(5) is bonded in a distorted 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 trigonal planar geometry to one Ni(2), one Ni(4), and one Ni(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one Ni(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(5), and one Ni(6) atom.
Ni6OF11 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(5), one F(7), two equivalent F(1), and two equivalent F(8) atoms to form NiF6 octahedra that share corners with two equivalent Ni(3)OF5 octahedra, corners with three equivalent Ni(6)F6 octahedra, corners with three equivalent Ni(2)OF5 octahedra,  an edgeedge with one Ni(4)F6 octahedra, and  an edgeedge with one Ni(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. The Ni(1)-F(5) bond length is 2.00 Å. The Ni(1)-F(7) bond length is 2.01 Å. Both Ni(1)-F(1) bond lengths are 2.04 Å. Both Ni(1)-F(8) bond lengths are 2.03 Å. In the second Ni site, Ni(2) is bonded to one O(1), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(5)OF5 octahedra, corners with three equivalent Ni(1)F6 octahedra, corners with three equivalent Ni(4)F6 octahedra,  an edgeedge with one Ni(6)F6 octahedra, and  an edgeedge with one Ni(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The Ni(2)-O(1) bond length is 1.97 Å. The Ni(2)-F(4) bond length is 2.06 Å. The Ni(2)-F(5) bond length is 2.03 Å. The Ni(2)-F(6) bond length is 2.03 Å. Both Ni(2)-F(1) bond lengths are 2.03 Å. In the third Ni site, Ni(3) is bonded to one O(1), one F(3), one F(5), one F(7), and two equivalent F(2) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with three equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra,  an edgeedge with one Ni(6)F6 octahedra, and  an edgeedge with one Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. The Ni(3)-O(1) bond length is 1.97 Å. The Ni(3)-F(3) bond length is 2.05 Å. The Ni(3)-F(5) bond length is 2.04 Å. The Ni(3)-F(7) bond length is 2.03 Å. Both Ni(3)-F(2) bond lengths are 2.03 Å. In the fourth Ni site, Ni(4) is bonded to one F(3), one F(6), two equivalent F(1), and two equivalent F(2) atoms to form NiF6 octahedra that share corners with two equivalent Ni(6)F6 octahedra, corners with three equivalent Ni(2)OF5 octahedra, corners with three equivalent Ni(3)OF5 octahedra,  an edgeedge with one Ni(1)F6 octahedra, and  an edgeedge with one Ni(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Ni(4)-F(3) bond length is 2.02 Å. The Ni(4)-F(6) bond length is 2.02 Å. Both Ni(4)-F(1) bond lengths are 2.03 Å. Both Ni(4)-F(2) bond lengths are 2.03 Å. In the fifth Ni site, Ni(5) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(8) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(2)OF5 octahedra, corners with three equivalent Ni(6)F6 octahedra, corners with three equivalent Ni(3)OF5 octahedra,  an edgeedge with one Ni(1)F6 octahedra, and  an edgeedge with one Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The Ni(5)-O(1) bond length is 1.96 Å. The Ni(5)-F(4) bond length is 2.04 Å. Both Ni(5)-F(2) bond lengths are 2.04 Å. Both Ni(5)-F(8) bond lengths are 2.04 Å. In the sixth Ni site, Ni(6) is bonded to one F(3), one F(4), one F(6), one F(7), and two equivalent F(8) atoms to form NiF6 octahedra that share corners with two equivalent Ni(4)F6 octahedra, corners with three equivalent Ni(1)F6 octahedra, corners with three equivalent Ni(5)OF5 octahedra,  an edgeedge with one Ni(2)OF5 octahedra, and  an edgeedge with one Ni(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The Ni(6)-F(3) bond length is 2.04 Å. The Ni(6)-F(4) bond length is 2.04 Å. The Ni(6)-F(6) bond length is 2.03 Å. The Ni(6)-F(7) bond length is 2.04 Å. Both Ni(6)-F(8) bond lengths are 2.02 Å. O(1) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Ni(5) atom. There are eight 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(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ni(3), one Ni(4), and one Ni(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(3), one Ni(4), and one Ni(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(5), and one Ni(6) atom. In the fifth F site, F(5) is bonded in a distorted 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 trigonal planar geometry to one Ni(2), one Ni(4), and one Ni(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ni(1), one Ni(3), and one Ni(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(5), and one Ni(6) atom.