NaBe2BO3F2 crystallizes in the monoclinic C2 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. In the third Na site, Na(3) is bonded in a distorted square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. In the fourth Na site, Na(4) is bonded to two equivalent F(3) and two equivalent F(4) atoms to form distorted NaF4 trigonal pyramids that share corners with two equivalent Be(1)O3F tetrahedra and corners with two equivalent Be(3)O3F tetrahedra. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(3), one O(5), one O(6), and one F(3) atom to form BeO3F tetrahedra that share  a cornercorner with one Be(2)O3F tetrahedra,  a cornercorner with one Be(3)O3F tetrahedra,  a cornercorner with one Be(4)O3F tetrahedra, and  a cornercorner with one Na(4)F4 trigonal pyramid. In the second Be site, Be(2) is bonded to one O(1), one O(4), one O(6), and one F(2) atom to form corner-sharing BeO3F tetrahedra. In the third Be site, Be(3) is bonded to one O(1), one O(2), one O(5), and one F(4) atom to form BeO3F tetrahedra that share  a cornercorner with one Be(1)O3F tetrahedra,  a cornercorner with one Be(2)O3F tetrahedra,  a cornercorner with one Be(4)O3F tetrahedra, and  a cornercorner with one Na(4)F4 trigonal pyramid. In the fourth Be site, Be(4) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form corner-sharing BeO3F tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Be(2), one Be(3), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Be(3), one Be(4), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one Be(4), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Be(2), one Be(4), and one B(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Be(1), one Be(3), and one B(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Be(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Be(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one Be(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one Na(4), and one Be(3) atom.
NaBe2BO3F2 crystallizes in the monoclinic C2 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Na(1)-F(1) bond lengths are 2.32 Å. Both Na(1)-F(2) bond lengths are 2.44 Å. In the second Na site, Na(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. Both Na(2)-F(2) bond lengths are 2.34 Å. Both Na(2)-F(3) bond lengths are 2.30 Å. In the third Na site, Na(3) is bonded in a distorted square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. Both Na(3)-F(1) bond lengths are 2.34 Å. Both Na(3)-F(4) bond lengths are 2.41 Å. In the fourth Na site, Na(4) is bonded to two equivalent F(3) and two equivalent F(4) atoms to form distorted NaF4 trigonal pyramids that share corners with two equivalent Be(1)O3F tetrahedra and corners with two equivalent Be(3)O3F tetrahedra. Both Na(4)-F(3) bond lengths are 2.31 Å. Both Na(4)-F(4) bond lengths are 2.32 Å. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(3), one O(5), one O(6), and one F(3) atom to form BeO3F tetrahedra that share  a cornercorner with one Be(2)O3F tetrahedra,  a cornercorner with one Be(3)O3F tetrahedra,  a cornercorner with one Be(4)O3F tetrahedra, and  a cornercorner with one Na(4)F4 trigonal pyramid. The Be(1)-O(3) bond length is 1.63 Å. The Be(1)-O(5) bond length is 1.65 Å. The Be(1)-O(6) bond length is 1.63 Å. The Be(1)-F(3) bond length is 1.54 Å. In the second Be site, Be(2) is bonded to one O(1), one O(4), one O(6), and one F(2) atom to form corner-sharing BeO3F tetrahedra. The Be(2)-O(1) bond length is 1.67 Å. The Be(2)-O(4) bond length is 1.63 Å. The Be(2)-O(6) bond length is 1.63 Å. The Be(2)-F(2) bond length is 1.54 Å. In the third Be site, Be(3) is bonded to one O(1), one O(2), one O(5), and one F(4) atom to form BeO3F tetrahedra that share  a cornercorner with one Be(1)O3F tetrahedra,  a cornercorner with one Be(2)O3F tetrahedra,  a cornercorner with one Be(4)O3F tetrahedra, and  a cornercorner with one Na(4)F4 trigonal pyramid. The Be(3)-O(1) bond length is 1.65 Å. The Be(3)-O(2) bond length is 1.67 Å. The Be(3)-O(5) bond length is 1.66 Å. The Be(3)-F(4) bond length is 1.54 Å. In the fourth Be site, Be(4) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form corner-sharing BeO3F tetrahedra. The Be(4)-O(2) bond length is 1.64 Å. The Be(4)-O(3) bond length is 1.64 Å. The Be(4)-O(4) bond length is 1.65 Å. The Be(4)-F(1) bond length is 1.54 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.38 Å. The B(1)-O(5) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(6) atom. The B(2)-O(1) bond length is 1.38 Å. The B(2)-O(3) bond length is 1.38 Å. The B(2)-O(6) bond length is 1.37 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Be(2), one Be(3), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Be(3), one Be(4), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one Be(4), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Be(2), one Be(4), and one B(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Be(1), one Be(3), and one B(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Be(1), one Be(2), and one B(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Be(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Be(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one Be(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one Na(4), and one Be(3) atom.