NaZn2HSe2O7 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form NaO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-78°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with two equivalent Na(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with three equivalent Na(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. H(1) is bonded in a single-bond geometry to one O(3) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Zn(2), two equivalent Zn(1), and one H(1) atom. In the fourth O site, O(4) is bonded to one Na(1), two equivalent Zn(1), and one Se(2) atom to form corner-sharing ONaZn2Se tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Zn(2), and one Se(2) atom.
NaZn2HSe2O7 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form NaO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-78°. The Na(1)-O(2) bond length is 2.33 Å. The Na(1)-O(4) bond length is 2.38 Å. Both Na(1)-O(5) bond lengths are 2.33 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with two equivalent Na(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. Both Zn(1)-O(1) bond lengths are 2.18 Å. Both Zn(1)-O(3) bond lengths are 2.04 Å. Both Zn(1)-O(4) bond lengths are 2.18 Å. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with three equivalent Na(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. The Zn(2)-O(2) bond length is 2.07 Å. The Zn(2)-O(3) bond length is 2.12 Å. Both Zn(2)-O(1) bond lengths are 2.18 Å. Both Zn(2)-O(5) bond lengths are 2.22 Å. H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 0.97 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. The Se(1)-O(2) bond length is 1.73 Å. Both Se(1)-O(1) bond lengths are 1.74 Å. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(5) atoms. The Se(2)-O(4) bond length is 1.76 Å. Both Se(2)-O(5) bond lengths are 1.73 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Zn(2), two equivalent Zn(1), and one H(1) atom. In the fourth O site, O(4) is bonded to one Na(1), two equivalent Zn(1), and one Se(2) atom to form corner-sharing ONaZn2Se tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Zn(2), and one Se(2) atom.