NaY2F7 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(4) atoms. Y(1) is bonded in a body-centered cubic geometry to one F(3), one F(4), three equivalent F(1), and three equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Y(1) atoms. In the second F site, F(2) is bonded to one Na(1) and three equivalent Y(1) atoms to form FNaY3 tetrahedra that share corners with three equivalent F(4)Na3Y tetrahedra, corners with seven equivalent F(2)NaY3 tetrahedra, and edges with three equivalent F(4)Na3Y tetrahedra. In the third F site, F(3) is bonded in a linear geometry to two equivalent Y(1) atoms. In the fourth F site, F(4) is bonded to three equivalent Na(1) and one Y(1) atom to form FNa3Y tetrahedra that share corners with three equivalent F(2)NaY3 tetrahedra, corners with nine equivalent F(4)Na3Y tetrahedra, edges with three equivalent F(4)Na3Y tetrahedra, and edges with three equivalent F(2)NaY3 tetrahedra.
NaY2F7 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(4) atoms. Both Na(1)-F(2) bond lengths are 2.61 Å. There are two shorter (2.47 Å) and four longer (2.52 Å) Na(1)-F(4) bond lengths. Y(1) is bonded in a body-centered cubic geometry to one F(3), one F(4), three equivalent F(1), and three equivalent F(2) atoms. The Y(1)-F(3) bond length is 2.22 Å. The Y(1)-F(4) bond length is 2.14 Å. There are two shorter (2.34 Å) and one longer (2.36 Å) Y(1)-F(1) bond length. There is one shorter (2.35 Å) and two longer (2.36 Å) Y(1)-F(2) bond lengths. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Y(1) atoms. In the second F site, F(2) is bonded to one Na(1) and three equivalent Y(1) atoms to form FNaY3 tetrahedra that share corners with three equivalent F(4)Na3Y tetrahedra, corners with seven equivalent F(2)NaY3 tetrahedra, and edges with three equivalent F(4)Na3Y tetrahedra. In the third F site, F(3) is bonded in a linear geometry to two equivalent Y(1) atoms. In the fourth F site, F(4) is bonded to three equivalent Na(1) and one Y(1) atom to form FNa3Y tetrahedra that share corners with three equivalent F(2)NaY3 tetrahedra, corners with nine equivalent F(4)Na3Y tetrahedra, edges with three equivalent F(4)Na3Y tetrahedra, and edges with three equivalent F(2)NaY3 tetrahedra.