MgNiF4 crystallizes in the tetragonal I4/mcm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the third Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the fourth Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the second Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the third Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. In the fourth Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to two Mg(1,1) and one Ni(1) atom.
MgNiF4 crystallizes in the tetragonal I4/mcm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Mg(1)-F(1) bond lengths are 2.16 Å. In the second Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Mg(1)-F(1) bond lengths are 2.16 Å. In the third Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Mg(1)-F(1) bond lengths are 2.16 Å. In the fourth Mg site, Mg(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Mg(1)-F(1) bond lengths are 2.16 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. All Ni(1)-F(1) bond lengths are 1.98 Å. In the second Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. All Ni(1)-F(1) bond lengths are 1.98 Å. In the third Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. All Ni(1)-F(1) bond lengths are 1.98 Å. In the fourth Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. All Ni(1)-F(1) bond lengths are 1.98 Å. F(1) is bonded in a distorted trigonal planar geometry to two Mg(1,1) and one Ni(1) atom.