LiMgCoF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mg(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CoF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom.
LiMgCoF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mg(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. Both Li(1)-F(1) bond lengths are 2.03 Å. Both Li(1)-F(2) bond lengths are 2.05 Å. Both Li(1)-F(3) bond lengths are 2.11 Å. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. Both Mg(1)-F(1) bond lengths are 2.03 Å. Both Mg(1)-F(2) bond lengths are 2.00 Å. Both Mg(1)-F(3) bond lengths are 2.05 Å. Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CoF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. Both Co(1)-F(1) bond lengths are 1.96 Å. Both Co(1)-F(2) bond lengths are 1.96 Å. Both Co(1)-F(3) bond lengths are 1.91 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom.