The crystal structure described by Na2Zn3Se4 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing ZnSe4 tetrahedra. In the second Zn site, Zn(2) is bonded to four equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing ZnSe4 tetrahedra. Se(1) is bonded in a 7-coordinate geometry to four equivalent Na(1), one Zn(1), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Na2Zn3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.119
_cell_length_b   9.119
_cell_length_c   9.119
_cell_angle_alpha   141.299
_cell_angle_beta   108.402
_cell_angle_gamma   84.485
_symmetry_Int_Tables_number   1
_cell_volume   435.258
_cell_formula_units_Z   2
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  0.625  0.735  0.361  1.0
  Na  Na1  1  0.375  0.265  0.639  1.0
  Na  Na2  1  0.125  0.765  0.890  1.0
  Na  Na3  1  0.875  0.235  0.110  1.0
  Zn  Zn4  1  0.750  0.250  0.500  1.0
  Zn  Zn5  1  0.250  0.750  0.500  1.0
  Zn  Zn6  1  0.972  0.750  0.222  1.0
  Zn  Zn7  1  0.528  0.750  0.778  1.0
  Zn  Zn8  1  0.028  0.250  0.778  1.0
  Zn  Zn9  1  0.472  0.250  0.222  1.0
  Se  Se10  1  0.006  0.867  0.600  1.0
  Se  Se11  1  0.266  0.406  0.400  1.0
  Se  Se12  1  0.234  0.633  0.139  1.0
  Se  Se13  1  0.494  0.094  0.861  1.0
  Se  Se14  1  0.994  0.133  0.400  1.0
  Se  Se15  1  0.734  0.594  0.600  1.0
  Se  Se16  1  0.766  0.367  0.861  1.0
  Se  Se17  1  0.506  0.906  0.139  1.0
[/CIF]
.
The crystal structure described by Na2Zn3Se4 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing ZnSe4 tetrahedra. In the second Zn site, Zn(2) is bonded to four equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing ZnSe4 tetrahedra. Se(1) is bonded in a 7-coordinate geometry to four equivalent Na(1), one Zn(1), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Na2Zn3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.119
_cell_length_b   9.119
_cell_length_c   9.119
_cell_angle_alpha   141.299
_cell_angle_beta   108.402
_cell_angle_gamma   84.485
_symmetry_Int_Tables_number   1
_cell_volume   435.258
_cell_formula_units_Z   2
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  0.625  0.735  0.361  1.0
  Na  Na1  1  0.375  0.265  0.639  1.0
  Na  Na2  1  0.125  0.765  0.890  1.0
  Na  Na3  1  0.875  0.235  0.110  1.0
  Zn  Zn4  1  0.750  0.250  0.500  1.0
  Zn  Zn5  1  0.250  0.750  0.500  1.0
  Zn  Zn6  1  0.972  0.750  0.222  1.0
  Zn  Zn7  1  0.528  0.750  0.778  1.0
  Zn  Zn8  1  0.028  0.250  0.778  1.0
  Zn  Zn9  1  0.472  0.250  0.222  1.0
  Se  Se10  1  0.006  0.867  0.600  1.0
  Se  Se11  1  0.266  0.406  0.400  1.0
  Se  Se12  1  0.234  0.633  0.139  1.0
  Se  Se13  1  0.494  0.094  0.861  1.0
  Se  Se14  1  0.994  0.133  0.400  1.0
  Se  Se15  1  0.734  0.594  0.600  1.0
  Se  Se16  1  0.766  0.367  0.861  1.0
  Se  Se17  1  0.506  0.906  0.139  1.0
[/CIF]
.