Ba2CaCo2CuF14 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(12), one F(13), one F(2), one F(3), one F(5), two equivalent F(4), two equivalent F(6), and two equivalent F(8) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one F(1), one F(10), one F(14), one F(2), one F(3), two equivalent F(11), two equivalent F(7), and two equivalent F(9) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(13), two equivalent F(5), two equivalent F(6), and two equivalent F(8) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(10), two equivalent F(11), and two equivalent F(9) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(13), one F(14), one F(3), one F(4), one F(6), and one F(8) atom to form CoF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Co site, Co(2) is bonded to one F(1), one F(11), one F(12), one F(2), one F(7), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. Cu(1) is bonded to one F(10), one F(12), one F(14), one F(2), one F(3), and one F(5) atom to form distorted CuF6 octahedra that share corners with two equivalent Co(1)F6 octahedra and corners with two equivalent Co(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ca(2), and one Co(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Co(2), and one Cu(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Co(1), and one Cu(1) atom. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Co(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(1) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Co(1) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Co(2) atom. In the eighth F site, F(8) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Co(1) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Ca(2), and one Co(2) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ca(2), and one Cu(1) atom. In the eleventh F site, F(11) is bonded in a distorted single-bond geometry to two equivalent Ba(2), one Ca(2), and one Co(2) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(1), one Co(2), and one Cu(1) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Co(1) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Ba(2), one Co(1), and one Cu(1) atom.
Ba2CaCo2CuF14 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(12), one F(13), one F(2), one F(3), one F(5), two equivalent F(4), two equivalent F(6), and two equivalent F(8) atoms. The Ba(1)-F(12) bond length is 2.98 Å. The Ba(1)-F(13) bond length is 2.70 Å. The Ba(1)-F(2) bond length is 2.77 Å. The Ba(1)-F(3) bond length is 2.88 Å. The Ba(1)-F(5) bond length is 2.74 Å. There is one shorter (2.73 Å) and one longer (3.01 Å) Ba(1)-F(4) bond length. There is one shorter (2.77 Å) and one longer (2.88 Å) Ba(1)-F(6) bond length. There is one shorter (3.00 Å) and one longer (3.28 Å) Ba(1)-F(8) bond length. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one F(1), one F(10), one F(14), one F(2), one F(3), two equivalent F(11), two equivalent F(7), and two equivalent F(9) atoms. The Ba(2)-F(1) bond length is 2.73 Å. The Ba(2)-F(10) bond length is 2.79 Å. The Ba(2)-F(14) bond length is 2.97 Å. The Ba(2)-F(2) bond length is 2.86 Å. The Ba(2)-F(3) bond length is 2.79 Å. There is one shorter (2.79 Å) and one longer (2.83 Å) Ba(2)-F(11) bond length. There is one shorter (2.74 Å) and one longer (3.00 Å) Ba(2)-F(7) bond length. There is one shorter (2.99 Å) and one longer (3.23 Å) Ba(2)-F(9) bond length. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(13), two equivalent F(5), two equivalent F(6), and two equivalent F(8) atoms. Both Ca(1)-F(13) bond lengths are 2.35 Å. Both Ca(1)-F(5) bond lengths are 2.27 Å. Both Ca(1)-F(6) bond lengths are 2.52 Å. Both Ca(1)-F(8) bond lengths are 2.35 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(10), two equivalent F(11), and two equivalent F(9) atoms. Both Ca(2)-F(1) bond lengths are 2.39 Å. Both Ca(2)-F(10) bond lengths are 2.28 Å. Both Ca(2)-F(11) bond lengths are 2.59 Å. Both Ca(2)-F(9) bond lengths are 2.33 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(13), one F(14), one F(3), one F(4), one F(6), and one F(8) atom to form CoF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. The Co(1)-F(13) bond length is 1.87 Å. The Co(1)-F(14) bond length is 1.98 Å. The Co(1)-F(3) bond length is 1.94 Å. The Co(1)-F(4) bond length is 1.94 Å. The Co(1)-F(6) bond length is 2.00 Å. The Co(1)-F(8) bond length is 1.93 Å. In the second Co site, Co(2) is bonded to one F(1), one F(11), one F(12), one F(2), one F(7), and one F(9) atom to form CoF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. The Co(2)-F(1) bond length is 1.91 Å. The Co(2)-F(11) bond length is 1.90 Å. The Co(2)-F(12) bond length is 1.90 Å. The Co(2)-F(2) bond length is 1.97 Å. The Co(2)-F(7) bond length is 1.83 Å. The Co(2)-F(9) bond length is 1.96 Å. Cu(1) is bonded to one F(10), one F(12), one F(14), one F(2), one F(3), and one F(5) atom to form distorted CuF6 octahedra that share corners with two equivalent Co(1)F6 octahedra and corners with two equivalent Co(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. The Cu(1)-F(10) bond length is 1.89 Å. The Cu(1)-F(12) bond length is 1.99 Å. The Cu(1)-F(14) bond length is 1.97 Å. The Cu(1)-F(2) bond length is 2.37 Å. The Cu(1)-F(3) bond length is 2.50 Å. The Cu(1)-F(5) bond length is 1.90 Å. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ca(2), and one Co(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Co(2), and one Cu(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Co(1), and one Cu(1) atom. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Co(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(1) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Co(1) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Co(2) atom. In the eighth F site, F(8) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Co(1) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Ca(2), and one Co(2) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ca(2), and one Cu(1) atom. In the eleventh F site, F(11) is bonded in a distorted single-bond geometry to two equivalent Ba(2), one Ca(2), and one Co(2) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(1), one Co(2), and one Cu(1) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Co(1) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Ba(2), one Co(1), and one Cu(1) atom.