NaZr2CuF11 crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted NaF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Zr(1)F7 pentagonal bipyramids, and edges with two equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. Zr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with two equivalent Na(1)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid,  an edgeedge with one Na(1)F6 octahedra, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 11-48°. Cu(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Na(1)F6 octahedra and corners with six equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Na(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zr(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Cu(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to one Zr(1) and one Cu(1) atom. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Zr(1) atoms.
NaZr2CuF11 crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted NaF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Zr(1)F7 pentagonal bipyramids, and edges with two equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. Both Na(1)-F(1) bond lengths are 2.23 Å. Both Na(1)-F(2) bond lengths are 2.50 Å. Both Na(1)-F(4) bond lengths are 2.30 Å. Zr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with two equivalent Na(1)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid,  an edgeedge with one Na(1)F6 octahedra, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 11-48°. The Zr(1)-F(1) bond length is 1.97 Å. The Zr(1)-F(2) bond length is 2.03 Å. The Zr(1)-F(3) bond length is 2.13 Å. The Zr(1)-F(5) bond length is 2.08 Å. The Zr(1)-F(6) bond length is 2.13 Å. There is one shorter (2.18 Å) and one longer (2.19 Å) Zr(1)-F(4) bond length. Cu(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Na(1)F6 octahedra and corners with six equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. Both Cu(1)-F(2) bond lengths are 2.42 Å. Both Cu(1)-F(3) bond lengths are 1.92 Å. Both Cu(1)-F(5) bond lengths are 1.95 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Na(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zr(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Cu(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to one Zr(1) and one Cu(1) atom. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Zr(1) atoms.