Ba2Fe2ZnF14 crystallizes in the monoclinic Pc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one F(1), one F(11), one F(12), one F(2), one F(5), one F(8), two equivalent F(10), two equivalent F(14), and two equivalent F(4) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra,  a cornercorner with one Fe(2)F6 octahedra, corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Zn(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Ba(2)F12 cuboctahedra, edges with two equivalent Fe(2)F6 octahedra, and  a faceface with one Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. In the second Ba site, Ba(2) is bonded to one F(11), one F(12), one F(13), one F(5), one F(8), one F(9), two equivalent F(3), two equivalent F(6), and two equivalent F(7) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(2)F12 cuboctahedra,  a cornercorner with one Fe(1)F6 octahedra,  a cornercorner with one Zn(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Ba(2)F12 cuboctahedra, edges with two equivalent Fe(1)F6 octahedra, edges with two equivalent Zn(1)F6 octahedra,  a faceface with one Fe(1)F6 octahedra, and  a faceface with one Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(2), one F(3), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share  a cornercorner with one Ba(2)F12 cuboctahedra, corners with two equivalent Ba(1)F12 cuboctahedra,  a cornercorner with one Zn(1)F6 octahedra, edges with two equivalent Ba(2)F12 cuboctahedra,  an edgeedge with one Zn(1)F6 octahedra, and  a faceface with one Ba(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one F(1), one F(10), one F(13), one F(14), one F(4), and one F(5) atom to form FeF6 octahedra that share  a cornercorner with one Ba(1)F12 cuboctahedra, corners with two equivalent Ba(2)F12 cuboctahedra, corners with two equivalent Zn(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-50°. Zn(1) is bonded to one F(1), one F(11), one F(13), one F(3), one F(6), and one F(7) atom to form ZnF6 octahedra that share  a cornercorner with one Ba(2)F12 cuboctahedra, corners with two equivalent Ba(1)F12 cuboctahedra,  a cornercorner with one Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, edges with two equivalent Ba(2)F12 cuboctahedra,  an edgeedge with one Fe(1)F6 octahedra, and  a faceface with one Ba(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-50°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Ba(1), one Fe(2), and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to two equivalent Ba(2), one Fe(1), and one Zn(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Fe(2) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(2), one Fe(1), and one Zn(1) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Fe(1), and one Zn(1) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the ninth F site, F(9) is bonded in a distorted water-like geometry to one Ba(2) and one Fe(1) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(2) atom. In the eleventh F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Zn(1) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Ba(1) and one Ba(2) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Fe(2), and one Zn(1) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to two equivalent Ba(1) and one Fe(2) atom.
Ba2Fe2ZnF14 crystallizes in the monoclinic Pc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one F(1), one F(11), one F(12), one F(2), one F(5), one F(8), two equivalent F(10), two equivalent F(14), and two equivalent F(4) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra,  a cornercorner with one Fe(2)F6 octahedra, corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Zn(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Ba(2)F12 cuboctahedra, edges with two equivalent Fe(2)F6 octahedra, and  a faceface with one Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. The Ba(1)-F(1) bond length is 3.01 Å. The Ba(1)-F(11) bond length is 2.85 Å. The Ba(1)-F(12) bond length is 2.63 Å. The Ba(1)-F(2) bond length is 2.72 Å. The Ba(1)-F(5) bond length is 2.92 Å. The Ba(1)-F(8) bond length is 3.01 Å. There is one shorter (2.84 Å) and one longer (2.91 Å) Ba(1)-F(10) bond length. There is one shorter (2.98 Å) and one longer (3.14 Å) Ba(1)-F(14) bond length. There is one shorter (2.84 Å) and one longer (2.93 Å) Ba(1)-F(4) bond length. In the second Ba site, Ba(2) is bonded to one F(11), one F(12), one F(13), one F(5), one F(8), one F(9), two equivalent F(3), two equivalent F(6), and two equivalent F(7) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(2)F12 cuboctahedra,  a cornercorner with one Fe(1)F6 octahedra,  a cornercorner with one Zn(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Ba(2)F12 cuboctahedra, edges with two equivalent Fe(1)F6 octahedra, edges with two equivalent Zn(1)F6 octahedra,  a faceface with one Fe(1)F6 octahedra, and  a faceface with one Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. The Ba(2)-F(11) bond length is 2.81 Å. The Ba(2)-F(12) bond length is 2.66 Å. The Ba(2)-F(13) bond length is 3.01 Å. The Ba(2)-F(5) bond length is 2.98 Å. The Ba(2)-F(8) bond length is 2.71 Å. The Ba(2)-F(9) bond length is 2.69 Å. There is one shorter (2.95 Å) and one longer (2.98 Å) Ba(2)-F(3) bond length. There is one shorter (2.93 Å) and one longer (3.26 Å) Ba(2)-F(6) bond length. There is one shorter (2.88 Å) and one longer (2.99 Å) Ba(2)-F(7) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(2), one F(3), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share  a cornercorner with one Ba(2)F12 cuboctahedra, corners with two equivalent Ba(1)F12 cuboctahedra,  a cornercorner with one Zn(1)F6 octahedra, edges with two equivalent Ba(2)F12 cuboctahedra,  an edgeedge with one Zn(1)F6 octahedra, and  a faceface with one Ba(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. The Fe(1)-F(2) bond length is 1.87 Å. The Fe(1)-F(3) bond length is 2.07 Å. The Fe(1)-F(6) bond length is 2.04 Å. The Fe(1)-F(7) bond length is 2.12 Å. The Fe(1)-F(8) bond length is 1.91 Å. The Fe(1)-F(9) bond length is 1.89 Å. In the second Fe site, Fe(2) is bonded to one F(1), one F(10), one F(13), one F(14), one F(4), and one F(5) atom to form FeF6 octahedra that share  a cornercorner with one Ba(1)F12 cuboctahedra, corners with two equivalent Ba(2)F12 cuboctahedra, corners with two equivalent Zn(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-50°. The Fe(2)-F(1) bond length is 2.00 Å. The Fe(2)-F(10) bond length is 1.88 Å. The Fe(2)-F(13) bond length is 1.94 Å. The Fe(2)-F(14) bond length is 1.81 Å. The Fe(2)-F(4) bond length is 1.90 Å. The Fe(2)-F(5) bond length is 1.82 Å. Zn(1) is bonded to one F(1), one F(11), one F(13), one F(3), one F(6), and one F(7) atom to form ZnF6 octahedra that share  a cornercorner with one Ba(2)F12 cuboctahedra, corners with two equivalent Ba(1)F12 cuboctahedra,  a cornercorner with one Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, edges with two equivalent Ba(2)F12 cuboctahedra,  an edgeedge with one Fe(1)F6 octahedra, and  a faceface with one Ba(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-50°. The Zn(1)-F(1) bond length is 1.99 Å. The Zn(1)-F(11) bond length is 1.97 Å. The Zn(1)-F(13) bond length is 2.08 Å. The Zn(1)-F(3) bond length is 2.10 Å. The Zn(1)-F(6) bond length is 2.01 Å. The Zn(1)-F(7) bond length is 2.04 Å. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Ba(1), one Fe(2), and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to two equivalent Ba(2), one Fe(1), and one Zn(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Fe(2) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(2), one Fe(1), and one Zn(1) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Fe(1), and one Zn(1) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the ninth F site, F(9) is bonded in a distorted water-like geometry to one Ba(2) and one Fe(1) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(2) atom. In the eleventh F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Zn(1) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Ba(1) and one Ba(2) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Fe(2), and one Zn(1) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to two equivalent Ba(1) and one Fe(2) atom.