BaNiF4 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent F(3), three equivalent F(1), three equivalent F(2), and three equivalent F(4) atoms. Ni(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles range from 8-29°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom.
BaNiF4 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent F(3), three equivalent F(1), three equivalent F(2), and three equivalent F(4) atoms. Both Ba(1)-F(3) bond lengths are 2.84 Å. There are two shorter (2.63 Å) and one longer (3.01 Å) Ba(1)-F(1) bond length. There are a spread of Ba(1)-F(2) bond distances ranging from 2.84-3.26 Å. There is one shorter (2.67 Å) and two longer (2.70 Å) Ba(1)-F(4) bond lengths. Ni(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles range from 8-29°. The Ni(1)-F(1) bond length is 1.94 Å. The Ni(1)-F(4) bond length is 1.96 Å. Both Ni(1)-F(2) bond lengths are 2.09 Å. There is one shorter (1.97 Å) and one longer (2.03 Å) Ni(1)-F(3) bond length. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Ni(1) atom.