The material structure described by 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. is represented by the CIF card [CIF]
data_NaZn2HSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   8.472
_cell_length_c   13.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.233
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.250  0.128  0.250  1.0
  Na  Na1  1  0.750  0.628  0.250  1.0
  Na  Na2  1  0.250  0.372  0.750  1.0
  Na  Na3  1  0.750  0.872  0.750  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.000  0.000  1.0
  Zn  Zn6  1  0.750  0.290  0.113  1.0
  Zn  Zn7  1  0.250  0.790  0.387  1.0
  Zn  Zn8  1  0.000  0.500  0.500  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  Zn  Zn10  1  0.750  0.210  0.613  1.0
  Zn  Zn11  1  0.250  0.710  0.887  1.0
  H  H12  1  0.750  0.978  0.154  1.0
  H  H13  1  0.250  0.478  0.346  1.0
  H  H14  1  0.750  0.522  0.654  1.0
  H  H15  1  0.250  0.022  0.846  1.0
  Se  Se16  1  0.250  0.383  0.026  1.0
  Se  Se17  1  0.250  0.774  0.170  1.0
  Se  Se18  1  0.750  0.274  0.330  1.0
  Se  Se19  1  0.750  0.883  0.474  1.0
  Se  Se20  1  0.250  0.117  0.526  1.0
  Se  Se21  1  0.250  0.726  0.670  1.0
  Se  Se22  1  0.750  0.226  0.830  1.0
  Se  Se23  1  0.750  0.617  0.974  1.0
  O  O24  1  0.031  0.255  0.018  1.0
  O  O25  1  0.469  0.255  0.018  1.0
  O  O26  1  0.750  0.532  0.089  1.0
  O  O27  1  0.750  0.042  0.095  1.0
  O  O28  1  0.250  0.958  0.110  1.0
  O  O29  1  0.542  0.301  0.246  1.0
  O  O30  1  0.958  0.301  0.246  1.0
  O  O31  1  0.042  0.801  0.254  1.0
  O  O32  1  0.458  0.801  0.254  1.0
  O  O33  1  0.750  0.458  0.390  1.0
  O  O34  1  0.250  0.542  0.405  1.0
  O  O35  1  0.250  0.032  0.411  1.0
  O  O36  1  0.531  0.755  0.482  1.0
  O  O37  1  0.969  0.755  0.482  1.0
  O  O38  1  0.031  0.245  0.518  1.0
  O  O39  1  0.469  0.245  0.518  1.0
  O  O40  1  0.750  0.968  0.589  1.0
  O  O41  1  0.750  0.458  0.595  1.0
  O  O42  1  0.250  0.542  0.610  1.0
  O  O43  1  0.542  0.199  0.746  1.0
  O  O44  1  0.958  0.199  0.746  1.0
  O  O45  1  0.042  0.699  0.754  1.0
  O  O46  1  0.458  0.699  0.754  1.0
  O  O47  1  0.750  0.042  0.890  1.0
  O  O48  1  0.250  0.958  0.905  1.0
  O  O49  1  0.250  0.468  0.911  1.0
  O  O50  1  0.531  0.745  0.982  1.0
  O  O51  1  0.969  0.745  0.982  1.0
[/CIF]
.
The material structure described by 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. is represented by the CIF card [CIF]
data_NaZn2HSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   8.472
_cell_length_c   13.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.233
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.250  0.128  0.250  1.0
  Na  Na1  1  0.750  0.628  0.250  1.0
  Na  Na2  1  0.250  0.372  0.750  1.0
  Na  Na3  1  0.750  0.872  0.750  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.000  0.000  1.0
  Zn  Zn6  1  0.750  0.290  0.113  1.0
  Zn  Zn7  1  0.250  0.790  0.387  1.0
  Zn  Zn8  1  0.000  0.500  0.500  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  Zn  Zn10  1  0.750  0.210  0.613  1.0
  Zn  Zn11  1  0.250  0.710  0.887  1.0
  H  H12  1  0.750  0.978  0.154  1.0
  H  H13  1  0.250  0.478  0.346  1.0
  H  H14  1  0.750  0.522  0.654  1.0
  H  H15  1  0.250  0.022  0.846  1.0
  Se  Se16  1  0.250  0.383  0.026  1.0
  Se  Se17  1  0.250  0.774  0.170  1.0
  Se  Se18  1  0.750  0.274  0.330  1.0
  Se  Se19  1  0.750  0.883  0.474  1.0
  Se  Se20  1  0.250  0.117  0.526  1.0
  Se  Se21  1  0.250  0.726  0.670  1.0
  Se  Se22  1  0.750  0.226  0.830  1.0
  Se  Se23  1  0.750  0.617  0.974  1.0
  O  O24  1  0.031  0.255  0.018  1.0
  O  O25  1  0.469  0.255  0.018  1.0
  O  O26  1  0.750  0.532  0.089  1.0
  O  O27  1  0.750  0.042  0.095  1.0
  O  O28  1  0.250  0.958  0.110  1.0
  O  O29  1  0.542  0.301  0.246  1.0
  O  O30  1  0.958  0.301  0.246  1.0
  O  O31  1  0.042  0.801  0.254  1.0
  O  O32  1  0.458  0.801  0.254  1.0
  O  O33  1  0.750  0.458  0.390  1.0
  O  O34  1  0.250  0.542  0.405  1.0
  O  O35  1  0.250  0.032  0.411  1.0
  O  O36  1  0.531  0.755  0.482  1.0
  O  O37  1  0.969  0.755  0.482  1.0
  O  O38  1  0.031  0.245  0.518  1.0
  O  O39  1  0.469  0.245  0.518  1.0
  O  O40  1  0.750  0.968  0.589  1.0
  O  O41  1  0.750  0.458  0.595  1.0
  O  O42  1  0.250  0.542  0.610  1.0
  O  O43  1  0.542  0.199  0.746  1.0
  O  O44  1  0.958  0.199  0.746  1.0
  O  O45  1  0.042  0.699  0.754  1.0
  O  O46  1  0.458  0.699  0.754  1.0
  O  O47  1  0.750  0.042  0.890  1.0
  O  O48  1  0.250  0.958  0.905  1.0
  O  O49  1  0.250  0.468  0.911  1.0
  O  O50  1  0.531  0.745  0.982  1.0
  O  O51  1  0.969  0.745  0.982  1.0
[/CIF]
.