The structure described by Na2Cu4S3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), and three equivalent S(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one S(1), two equivalent S(2), and three equivalent S(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(3) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Na(2), three equivalent Na(1), one Cu(1), and two equivalent Cu(3) atoms. In the second S site, S(2) is bonded in a 9-coordinate geometry to one Na(1), two equivalent Na(2), one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent Na(1), three equivalent Na(2), one Cu(4), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Na2Cu4S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.251
_cell_length_b   8.251
_cell_length_c   10.275
_cell_angle_alpha   72.427
_cell_angle_beta   72.427
_cell_angle_gamma   26.777
_symmetry_Int_Tables_number   1
_cell_volume   299.542
_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  0.168  0.168  0.158  1.0
  Na  Na1  1  0.832  0.832  0.842  1.0
  Na  Na2  1  0.313  0.313  0.343  1.0
  Na  Na3  1  0.687  0.687  0.657  1.0
  Cu  Cu4  1  0.483  0.483  0.883  1.0
  Cu  Cu5  1  0.517  0.517  0.117  1.0
  Cu  Cu6  1  0.909  0.909  0.508  1.0
  Cu  Cu7  1  0.912  0.912  0.088  1.0
  Cu  Cu8  1  0.088  0.088  0.912  1.0
  Cu  Cu9  1  0.526  0.526  0.367  1.0
  Cu  Cu10  1  0.474  0.474  0.633  1.0
  Cu  Cu11  1  0.091  0.091  0.492  1.0
  S  S12  1  0.350  0.350  0.046  1.0
  S  S13  1  0.972  0.972  0.272  1.0
  S  S14  1  0.028  0.028  0.728  1.0
  S  S15  1  0.335  0.335  0.614  1.0
  S  S16  1  0.665  0.665  0.386  1.0
  S  S17  1  0.650  0.650  0.954  1.0
[/CIF]
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The structure described by Na2Cu4S3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), and three equivalent S(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one S(1), two equivalent S(2), and three equivalent S(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(3) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Na(2), three equivalent Na(1), one Cu(1), and two equivalent Cu(3) atoms. In the second S site, S(2) is bonded in a 9-coordinate geometry to one Na(1), two equivalent Na(2), one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent Na(1), three equivalent Na(2), one Cu(4), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Na2Cu4S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.251
_cell_length_b   8.251
_cell_length_c   10.275
_cell_angle_alpha   72.427
_cell_angle_beta   72.427
_cell_angle_gamma   26.777
_symmetry_Int_Tables_number   1
_cell_volume   299.542
_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  0.168  0.168  0.158  1.0
  Na  Na1  1  0.832  0.832  0.842  1.0
  Na  Na2  1  0.313  0.313  0.343  1.0
  Na  Na3  1  0.687  0.687  0.657  1.0
  Cu  Cu4  1  0.483  0.483  0.883  1.0
  Cu  Cu5  1  0.517  0.517  0.117  1.0
  Cu  Cu6  1  0.909  0.909  0.508  1.0
  Cu  Cu7  1  0.912  0.912  0.088  1.0
  Cu  Cu8  1  0.088  0.088  0.912  1.0
  Cu  Cu9  1  0.526  0.526  0.367  1.0
  Cu  Cu10  1  0.474  0.474  0.633  1.0
  Cu  Cu11  1  0.091  0.091  0.492  1.0
  S  S12  1  0.350  0.350  0.046  1.0
  S  S13  1  0.972  0.972  0.272  1.0
  S  S14  1  0.028  0.028  0.728  1.0
  S  S15  1  0.335  0.335  0.614  1.0
  S  S16  1  0.665  0.665  0.386  1.0
  S  S17  1  0.650  0.650  0.954  1.0
[/CIF]
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