The material structure described by Na2ZnS2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Na site, Na(2) is bonded to four equivalent S(2) atoms to form distorted NaS4 tetrahedra that share corners with four equivalent Na(2)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and edges with four equivalent Na(2)S4 tetrahedra. Zn(1) is bonded to one S(2) and three equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Na(2)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and three equivalent Zn(1) atoms. In the second S site, S(2) is bonded to two equivalent Na(1), four equivalent Na(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SNa6Zn pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2ZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.029
_cell_length_b   6.810
_cell_length_c   8.791
_cell_angle_alpha   86.033
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.797
_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  0.172  0.952  0.676  1.0
  Na  Na1  1  0.672  0.548  0.324  1.0
  Na  Na2  1  0.828  0.048  0.324  1.0
  Na  Na3  1  0.328  0.452  0.676  1.0
  Na  Na4  1  0.263  0.988  0.052  1.0
  Na  Na5  1  0.763  0.512  0.948  1.0
  Na  Na6  1  0.737  0.012  0.948  1.0
  Na  Na7  1  0.237  0.488  0.052  1.0
  Zn  Zn8  1  0.095  0.654  0.371  1.0
  Zn  Zn9  1  0.595  0.846  0.629  1.0
  Zn  Zn10  1  0.905  0.346  0.629  1.0
  Zn  Zn11  1  0.405  0.154  0.371  1.0
  S  S12  1  0.611  0.197  0.588  1.0
  S  S13  1  0.111  0.303  0.412  1.0
  S  S14  1  0.389  0.803  0.412  1.0
  S  S15  1  0.889  0.697  0.588  1.0
  S  S16  1  0.544  0.252  0.145  1.0
  S  S17  1  0.044  0.248  0.855  1.0
  S  S18  1  0.456  0.748  0.855  1.0
  S  S19  1  0.956  0.752  0.145  1.0
[/CIF]
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The material structure described by Na2ZnS2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Na site, Na(2) is bonded to four equivalent S(2) atoms to form distorted NaS4 tetrahedra that share corners with four equivalent Na(2)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and edges with four equivalent Na(2)S4 tetrahedra. Zn(1) is bonded to one S(2) and three equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Na(2)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and three equivalent Zn(1) atoms. In the second S site, S(2) is bonded to two equivalent Na(1), four equivalent Na(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SNa6Zn pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2ZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.029
_cell_length_b   6.810
_cell_length_c   8.791
_cell_angle_alpha   86.033
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.797
_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  0.172  0.952  0.676  1.0
  Na  Na1  1  0.672  0.548  0.324  1.0
  Na  Na2  1  0.828  0.048  0.324  1.0
  Na  Na3  1  0.328  0.452  0.676  1.0
  Na  Na4  1  0.263  0.988  0.052  1.0
  Na  Na5  1  0.763  0.512  0.948  1.0
  Na  Na6  1  0.737  0.012  0.948  1.0
  Na  Na7  1  0.237  0.488  0.052  1.0
  Zn  Zn8  1  0.095  0.654  0.371  1.0
  Zn  Zn9  1  0.595  0.846  0.629  1.0
  Zn  Zn10  1  0.905  0.346  0.629  1.0
  Zn  Zn11  1  0.405  0.154  0.371  1.0
  S  S12  1  0.611  0.197  0.588  1.0
  S  S13  1  0.111  0.303  0.412  1.0
  S  S14  1  0.389  0.803  0.412  1.0
  S  S15  1  0.889  0.697  0.588  1.0
  S  S16  1  0.544  0.252  0.145  1.0
  S  S17  1  0.044  0.248  0.855  1.0
  S  S18  1  0.456  0.748  0.855  1.0
  S  S19  1  0.956  0.752  0.145  1.0
[/CIF]
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