Ni6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one F(2), and four equivalent F(5) atoms to form NiOF5 octahedra that share corners with four equivalent Ni(4)F6 octahedra, corners with four equivalent Ni(2)O2F4 octahedra, and edges with two equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form NiO2F4 octahedra that share corners with four equivalent Ni(3)F6 octahedra, corners with four equivalent Ni(1)OF5 octahedra, and edges with two equivalent Ni(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Ni site, Ni(3) is bonded to one F(1), one F(6), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Ni(2)O2F4 octahedra, corners with six equivalent Ni(4)F6 octahedra, and edges with two equivalent Ni(3)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Ni site, Ni(4) is bonded to one F(4), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)OF5 octahedra, corners with six equivalent Ni(3)F6 octahedra, and edges with two equivalent Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent Ni(1) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(4) atoms.
Ni6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one F(2), and four equivalent F(5) atoms to form NiOF5 octahedra that share corners with four equivalent Ni(4)F6 octahedra, corners with four equivalent Ni(2)O2F4 octahedra, and edges with two equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Ni(1)-O(1) bond length is 2.01 Å. The Ni(1)-F(2) bond length is 2.03 Å. All Ni(1)-F(5) bond lengths are 2.03 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form NiO2F4 octahedra that share corners with four equivalent Ni(3)F6 octahedra, corners with four equivalent Ni(1)OF5 octahedra, and edges with two equivalent Ni(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Ni(2)-O(1) bond lengths are 1.97 Å. Both Ni(2)-F(2) bond lengths are 2.06 Å. Both Ni(2)-F(3) bond lengths are 2.03 Å. In the third Ni site, Ni(3) is bonded to one F(1), one F(6), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Ni(2)O2F4 octahedra, corners with six equivalent Ni(4)F6 octahedra, and edges with two equivalent Ni(3)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Ni(3)-F(1) bond length is 2.01 Å. The Ni(3)-F(6) bond length is 2.01 Å. Both Ni(3)-F(3) bond lengths are 2.02 Å. Both Ni(3)-F(4) bond lengths are 2.02 Å. In the fourth Ni site, Ni(4) is bonded to one F(4), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)OF5 octahedra, corners with six equivalent Ni(3)F6 octahedra, and edges with two equivalent Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Ni(4)-F(4) bond length is 2.02 Å. The Ni(4)-F(5) bond length is 2.01 Å. Both Ni(4)-F(1) bond lengths are 2.02 Å. Both Ni(4)-F(6) bond lengths are 2.02 Å. O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent Ni(1) atoms. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(4) atoms.