NaZr2TiF11 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent F(3), two equivalent F(5), and four equivalent F(1) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Zr(1)F7 pentagonal bipyramids, edges with two equivalent Ti(1)F6 octahedra, and edges with four equivalent Zr(1)F7 pentagonal bipyramids. Zr(1) is bonded to one F(2), one F(4), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form ZrF7 pentagonal bipyramids that share  a cornercorner with one Na(1)F8 hexagonal bipyramid, corners with three equivalent Ti(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid, edges with two equivalent Na(1)F8 hexagonal bipyramids, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 5-33°. Ti(1) is bonded to two equivalent F(4) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Zr(1)F7 pentagonal bipyramids and edges with two equivalent Na(1)F8 hexagonal bipyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zr(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Zr(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Zr(1) and one Ti(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Na(1) and one Zr(1) atom.
NaZr2TiF11 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent F(3), two equivalent F(5), and four equivalent F(1) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Zr(1)F7 pentagonal bipyramids, edges with two equivalent Ti(1)F6 octahedra, and edges with four equivalent Zr(1)F7 pentagonal bipyramids. Both Na(1)-F(3) bond lengths are 2.27 Å. Both Na(1)-F(5) bond lengths are 2.23 Å. All Na(1)-F(1) bond lengths are 2.79 Å. Zr(1) is bonded to one F(2), one F(4), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form ZrF7 pentagonal bipyramids that share  a cornercorner with one Na(1)F8 hexagonal bipyramid, corners with three equivalent Ti(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid, edges with two equivalent Na(1)F8 hexagonal bipyramids, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 5-33°. The Zr(1)-F(2) bond length is 2.12 Å. The Zr(1)-F(4) bond length is 2.10 Å. The Zr(1)-F(5) bond length is 1.99 Å. Both Zr(1)-F(1) bond lengths are 2.11 Å. Both Zr(1)-F(3) bond lengths are 2.19 Å. Ti(1) is bonded to two equivalent F(4) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Zr(1)F7 pentagonal bipyramids and edges with two equivalent Na(1)F8 hexagonal bipyramids. Both Ti(1)-F(4) bond lengths are 2.04 Å. All Ti(1)-F(1) bond lengths are 2.11 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zr(1), and one Ti(1) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Zr(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Zr(1) and one Ti(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Na(1) and one Zr(1) atom.