Ba2CaFe2CoF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(4), one F(5), two equivalent F(1), two equivalent F(6), two equivalent F(7), and three equivalent F(3) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Co(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Fe(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Co(1) atom. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Fe(1) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Co(1) atom. In the sixth F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the seventh F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom.
Ba2CaFe2CoF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(4), one F(5), two equivalent F(1), two equivalent F(6), two equivalent F(7), and three equivalent F(3) atoms. The Ba(1)-F(2) bond length is 2.83 Å. The Ba(1)-F(4) bond length is 2.76 Å. The Ba(1)-F(5) bond length is 2.69 Å. There is one shorter (3.13 Å) and one longer (3.15 Å) Ba(1)-F(1) bond length. There is one shorter (2.80 Å) and one longer (2.85 Å) Ba(1)-F(6) bond length. There is one shorter (2.93 Å) and one longer (3.00 Å) Ba(1)-F(7) bond length. There are a spread of Ba(1)-F(3) bond distances ranging from 2.84-3.27 Å. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Both Ca(1)-F(1) bond lengths are 2.39 Å. Both Ca(1)-F(4) bond lengths are 2.27 Å. Both Ca(1)-F(5) bond lengths are 2.37 Å. Both Ca(1)-F(6) bond lengths are 2.61 Å. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Fe(1)-F(1) bond length is 1.94 Å. The Fe(1)-F(2) bond length is 1.97 Å. The Fe(1)-F(3) bond length is 1.93 Å. The Fe(1)-F(5) bond length is 1.93 Å. The Fe(1)-F(6) bond length is 2.00 Å. The Fe(1)-F(7) bond length is 2.00 Å. Co(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Both Co(1)-F(2) bond lengths are 2.07 Å. Both Co(1)-F(4) bond lengths are 1.99 Å. Both Co(1)-F(7) bond lengths are 2.20 Å. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Fe(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Co(1) atom. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Fe(1) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Co(1) atom. In the sixth F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the seventh F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom.