The structure described by Na2Zn3S4 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing ZnS4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to three equivalent Na(1), one Zn(1), and two equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_Na2Zn3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.721
_cell_length_b   8.721
_cell_length_c   8.721
_cell_angle_alpha   141.084
_cell_angle_beta   108.605
_cell_angle_gamma   84.428
_symmetry_Int_Tables_number   1
_cell_volume   381.956
_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  0.626  0.740  0.366  1.0
  Na  Na1  1  0.374  0.260  0.634  1.0
  Na  Na2  1  0.126  0.760  0.886  1.0
  Na  Na3  1  0.874  0.240  0.114  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  0.967  0.750  0.217  1.0
  Zn  Zn7  1  0.533  0.750  0.783  1.0
  Zn  Zn8  1  0.033  0.250  0.783  1.0
  Zn  Zn9  1  0.467  0.250  0.217  1.0
  S  S10  1  0.007  0.865  0.595  1.0
  S  S11  1  0.271  0.412  0.405  1.0
  S  S12  1  0.229  0.635  0.142  1.0
  S  S13  1  0.493  0.088  0.858  1.0
  S  S14  1  0.993  0.135  0.405  1.0
  S  S15  1  0.729  0.588  0.595  1.0
  S  S16  1  0.771  0.365  0.858  1.0
  S  S17  1  0.507  0.912  0.142  1.0
[/CIF]
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The structure described by Na2Zn3S4 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing ZnS4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to three equivalent Na(1), one Zn(1), and two equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_Na2Zn3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.721
_cell_length_b   8.721
_cell_length_c   8.721
_cell_angle_alpha   141.084
_cell_angle_beta   108.605
_cell_angle_gamma   84.428
_symmetry_Int_Tables_number   1
_cell_volume   381.956
_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  0.626  0.740  0.366  1.0
  Na  Na1  1  0.374  0.260  0.634  1.0
  Na  Na2  1  0.126  0.760  0.886  1.0
  Na  Na3  1  0.874  0.240  0.114  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  0.967  0.750  0.217  1.0
  Zn  Zn7  1  0.533  0.750  0.783  1.0
  Zn  Zn8  1  0.033  0.250  0.783  1.0
  Zn  Zn9  1  0.467  0.250  0.217  1.0
  S  S10  1  0.007  0.865  0.595  1.0
  S  S11  1  0.271  0.412  0.405  1.0
  S  S12  1  0.229  0.635  0.142  1.0
  S  S13  1  0.493  0.088  0.858  1.0
  S  S14  1  0.993  0.135  0.405  1.0
  S  S15  1  0.729  0.588  0.595  1.0
  S  S16  1  0.771  0.365  0.858  1.0
  S  S17  1  0.507  0.912  0.142  1.0
[/CIF]
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