Ba2Ni2F7Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), two equivalent F(1), and four equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to two equivalent F(2), two equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Cl(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form distorted corner-sharing NiClF5 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. In the second Ni site, Ni(2) is bonded to one Cl(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted corner-sharing NiClF5 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. Cl(1) is bonded to three equivalent Ba(1), one Ni(1), and one Ni(2) atom to form distorted ClBa3Ni2 trigonal bipyramids that share corners with four equivalent F(1)Ba3Ni tetrahedra, corners with ten equivalent F(4)Ba3Ni tetrahedra, corners with two equivalent Cl(1)Ba3Ni2 trigonal bipyramids, edges with two equivalent F(1)Ba3Ni tetrahedra, edges with two equivalent F(4)Ba3Ni tetrahedra, and edges with two equivalent Cl(1)Ba3Ni2 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), two equivalent Ba(2), and one Ni(2) atom to form distorted FBa3Ni tetrahedra that share corners with two equivalent F(1)Ba3Ni tetrahedra, corners with six equivalent F(4)Ba3Ni tetrahedra, corners with two equivalent Cl(1)Ba3Ni2 trigonal bipyramids,  an edgeedge with one F(4)Ba3Ni tetrahedra, edges with three equivalent F(1)Ba3Ni tetrahedra, and  an edgeedge with one Cl(1)Ba3Ni2 trigonal bipyramid. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Ni(1), and one Ni(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Ni(1), and one Ni(2) atom. In the fourth F site, F(4) is bonded to one Ba(2), two equivalent Ba(1), and one Ni(1) atom to form distorted FBa3Ni tetrahedra that share corners with two equivalent F(4)Ba3Ni tetrahedra, corners with six equivalent F(1)Ba3Ni tetrahedra, corners with five equivalent Cl(1)Ba3Ni2 trigonal bipyramids,  an edgeedge with one F(1)Ba3Ni tetrahedra, edges with three equivalent F(4)Ba3Ni tetrahedra, and  an edgeedge with one Cl(1)Ba3Ni2 trigonal bipyramid.
Ba2Ni2F7Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), two equivalent F(1), and four equivalent F(4) atoms. All Ba(1)-Cl(1) bond lengths are 3.32 Å. Both Ba(1)-F(1) bond lengths are 2.66 Å. All Ba(1)-F(4) bond lengths are 2.70 Å. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to two equivalent F(2), two equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. Both Ba(2)-F(2) bond lengths are 2.94 Å. Both Ba(2)-F(4) bond lengths are 2.78 Å. There are two shorter (2.76 Å) and two longer (2.86 Å) Ba(2)-F(1) bond lengths. There are two shorter (3.04 Å) and two longer (3.09 Å) Ba(2)-F(3) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Cl(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form distorted corner-sharing NiClF5 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. The Ni(1)-Cl(1) bond length is 2.52 Å. The Ni(1)-F(2) bond length is 2.04 Å. Both Ni(1)-F(3) bond lengths are 2.01 Å. Both Ni(1)-F(4) bond lengths are 2.01 Å. In the second Ni site, Ni(2) is bonded to one Cl(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted corner-sharing NiClF5 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. The Ni(2)-Cl(1) bond length is 2.54 Å. The Ni(2)-F(2) bond length is 2.05 Å. Both Ni(2)-F(1) bond lengths are 1.99 Å. Both Ni(2)-F(3) bond lengths are 2.02 Å. Cl(1) is bonded to three equivalent Ba(1), one Ni(1), and one Ni(2) atom to form distorted ClBa3Ni2 trigonal bipyramids that share corners with four equivalent F(1)Ba3Ni tetrahedra, corners with ten equivalent F(4)Ba3Ni tetrahedra, corners with two equivalent Cl(1)Ba3Ni2 trigonal bipyramids, edges with two equivalent F(1)Ba3Ni tetrahedra, edges with two equivalent F(4)Ba3Ni tetrahedra, and edges with two equivalent Cl(1)Ba3Ni2 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), two equivalent Ba(2), and one Ni(2) atom to form distorted FBa3Ni tetrahedra that share corners with two equivalent F(1)Ba3Ni tetrahedra, corners with six equivalent F(4)Ba3Ni tetrahedra, corners with two equivalent Cl(1)Ba3Ni2 trigonal bipyramids,  an edgeedge with one F(4)Ba3Ni tetrahedra, edges with three equivalent F(1)Ba3Ni tetrahedra, and  an edgeedge with one Cl(1)Ba3Ni2 trigonal bipyramid. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Ni(1), and one Ni(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Ni(1), and one Ni(2) atom. In the fourth F site, F(4) is bonded to one Ba(2), two equivalent Ba(1), and one Ni(1) atom to form distorted FBa3Ni tetrahedra that share corners with two equivalent F(4)Ba3Ni tetrahedra, corners with six equivalent F(1)Ba3Ni tetrahedra, corners with five equivalent Cl(1)Ba3Ni2 trigonal bipyramids,  an edgeedge with one F(1)Ba3Ni tetrahedra, edges with three equivalent F(4)Ba3Ni tetrahedra, and  an edgeedge with one Cl(1)Ba3Ni2 trigonal bipyramid.