Ba2CaCuCr2F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(3), one F(6), two equivalent F(4), two equivalent F(5), two equivalent F(7), and three equivalent F(1) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(6), and two equivalent F(7) atoms. Cr(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form CrF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Cu(1) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cr(1), and one Cu(1) atom. In the second F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(1) atom. In the third F site, F(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. In the fifth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Cr(1) atom. In the sixth F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one Cr(1), and one Cu(1) atom. In the seventh F site, F(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom.
Ba2CaCuCr2F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(3), one F(6), two equivalent F(4), two equivalent F(5), two equivalent F(7), and three equivalent F(1) atoms. The Ba(1)-F(2) bond length is 2.67 Å. The Ba(1)-F(3) bond length is 2.87 Å. The Ba(1)-F(6) bond length is 2.75 Å. There is one shorter (3.02 Å) and one longer (3.15 Å) Ba(1)-F(4) bond length. There is one shorter (2.79 Å) and one longer (2.85 Å) Ba(1)-F(5) bond length. There is one shorter (2.75 Å) and one longer (2.84 Å) Ba(1)-F(7) bond length. There are a spread of Ba(1)-F(1) bond distances ranging from 2.73-3.34 Å. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(6), and two equivalent F(7) atoms. Both Ca(1)-F(2) bond lengths are 2.34 Å. Both Ca(1)-F(4) bond lengths are 2.35 Å. Both Ca(1)-F(6) bond lengths are 2.26 Å. Both Ca(1)-F(7) bond lengths are 2.53 Å. Cr(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form CrF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Cr(1)-F(1) bond length is 1.89 Å. The Cr(1)-F(2) bond length is 1.90 Å. The Cr(1)-F(3) bond length is 1.93 Å. The Cr(1)-F(4) bond length is 1.91 Å. The Cr(1)-F(5) bond length is 1.92 Å. The Cr(1)-F(7) bond length is 1.93 Å. Cu(1) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Both Cu(1)-F(3) bond lengths are 1.97 Å. Both Cu(1)-F(5) bond lengths are 2.31 Å. Both Cu(1)-F(6) bond lengths are 1.87 Å. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cr(1), and one Cu(1) atom. In the second F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(1) atom. In the third F site, F(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. In the fifth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Cr(1) atom. In the sixth F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one Cr(1), and one Cu(1) atom. In the seventh F site, F(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom.