The material described by Na2ZnS2 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. Zn(1) is bonded to four equivalent S(1) atoms to form distorted edge-sharing ZnS4 tetrahedra. S(1) is bonded to five equivalent Na(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner, edge, and face-sharing SNa5Zn2 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Na2ZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   6.381
_cell_length_c   7.054
_cell_angle_alpha   116.892
_cell_angle_beta   114.489
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.859
_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  0.142  0.489  0.284  1.0
  Na  Na1  1  0.858  0.511  0.716  1.0
  Na  Na2  1  0.358  0.206  0.716  1.0
  Na  Na3  1  0.642  0.794  0.284  1.0
  Zn  Zn4  1  0.250  0.000  0.000  1.0
  Zn  Zn5  1  0.750  0.000  0.000  1.0
  S  S6  1  0.612  0.326  0.223  1.0
  S  S7  1  0.388  0.674  0.777  1.0
  S  S8  1  0.888  0.102  0.777  1.0
  S  S9  1  0.112  0.898  0.223  1.0
[/CIF]
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The material described by Na2ZnS2 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. Zn(1) is bonded to four equivalent S(1) atoms to form distorted edge-sharing ZnS4 tetrahedra. S(1) is bonded to five equivalent Na(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner, edge, and face-sharing SNa5Zn2 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Na2ZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   6.381
_cell_length_c   7.054
_cell_angle_alpha   116.892
_cell_angle_beta   114.489
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.859
_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  0.142  0.489  0.284  1.0
  Na  Na1  1  0.858  0.511  0.716  1.0
  Na  Na2  1  0.358  0.206  0.716  1.0
  Na  Na3  1  0.642  0.794  0.284  1.0
  Zn  Zn4  1  0.250  0.000  0.000  1.0
  Zn  Zn5  1  0.750  0.000  0.000  1.0
  S  S6  1  0.612  0.326  0.223  1.0
  S  S7  1  0.388  0.674  0.777  1.0
  S  S8  1  0.888  0.102  0.777  1.0
  S  S9  1  0.112  0.898  0.223  1.0
[/CIF]
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