BaCoF4 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent F(2), three equivalent F(1), three equivalent F(3), and three equivalent F(4) atoms. Co(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 12-21°. There are four inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing FBa3Co2 trigonal bipyramids. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Co(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Co(1) atom.
BaCoF4 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent F(2), three equivalent F(1), three equivalent F(3), and three equivalent F(4) atoms. Both Ba(1)-F(2) bond lengths are 2.93 Å. There are a spread of Ba(1)-F(1) bond distances ranging from 2.81-3.03 Å. There is one shorter (2.68 Å) and two longer (2.76 Å) Ba(1)-F(3) bond lengths. There are two shorter (2.67 Å) and one longer (2.98 Å) Ba(1)-F(4) bond length. Co(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 12-21°. The Co(1)-F(3) bond length is 1.92 Å. The Co(1)-F(4) bond length is 1.89 Å. Both Co(1)-F(1) bond lengths are 2.20 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Co(1)-F(2) bond length. There are four inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing FBa3Co2 trigonal bipyramids. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Co(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Co(1) atom.