CaNiF4 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent F(4) and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(2) atom.
CaNiF4 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. The Ca(1)-F(1) bond length is 2.37 Å. The Ca(1)-F(2) bond length is 2.36 Å. The Ca(1)-F(3) bond length is 2.36 Å. The Ca(1)-F(5) bond length is 2.36 Å. Both Ca(1)-F(4) bond lengths are 2.37 Å. Both Ca(1)-F(6) bond lengths are 2.36 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to one F(1), one F(2), one F(3), and one F(5) atom. The Ni(1)-F(1) bond length is 1.97 Å. The Ni(1)-F(2) bond length is 1.96 Å. The Ni(1)-F(3) bond length is 1.97 Å. The Ni(1)-F(5) bond length is 1.96 Å. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent F(4) and two equivalent F(6) atoms. Both Ni(2)-F(4) bond lengths are 1.97 Å. Both Ni(2)-F(6) bond lengths are 1.97 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(1) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Ni(2) atom.