The material structure described by Na5CuS4(NO6)2 crystallizes in the tetragonal P-4 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one S(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the third Na site, Na(3) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form edge-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form edge-sharing CuS4 tetrahedra. N(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Na(2), one Cu(1), one Cu(2), and one S(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one S(1), one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), and one S(2) atom to form distorted corner-sharing ONa3S tetrahedra. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one N(1) atom. In the third O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one N(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one N(1) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(2) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one S(2) atom. is represented by the CIF card [CIF]
data_Na5CuS4(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.393
_cell_length_b   11.393
_cell_length_c   5.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.855
_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  0.510  0.233  0.743  1.0
  Na  Na1  1  0.490  0.767  0.743  1.0
  Na  Na2  1  0.233  0.490  0.257  1.0
  Na  Na3  1  0.767  0.510  0.257  1.0
  Na  Na4  1  0.803  0.272  0.782  1.0
  Na  Na5  1  0.197  0.728  0.782  1.0
  Na  Na6  1  0.272  0.197  0.218  1.0
  Na  Na7  1  0.728  0.803  0.218  1.0
  Na  Na8  1  0.000  0.500  0.790  1.0
  Na  Na9  1  0.500  0.000  0.210  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
  S  S12  1  0.862  0.906  0.751  1.0
  S  S13  1  0.138  0.094  0.751  1.0
  S  S14  1  0.906  0.138  0.249  1.0
  S  S15  1  0.094  0.862  0.249  1.0
  S  S16  1  0.694  0.976  0.723  1.0
  S  S17  1  0.306  0.024  0.723  1.0
  S  S18  1  0.976  0.306  0.277  1.0
  S  S19  1  0.024  0.694  0.277  1.0
  N  N20  1  0.300  0.393  0.744  1.0
  N  N21  1  0.700  0.607  0.744  1.0
  N  N22  1  0.393  0.700  0.256  1.0
  N  N23  1  0.607  0.300  0.256  1.0
  O  O24  1  0.691  0.104  0.764  1.0
  O  O25  1  0.309  0.896  0.764  1.0
  O  O26  1  0.104  0.309  0.236  1.0
  O  O27  1  0.896  0.691  0.236  1.0
  O  O28  1  0.650  0.945  0.478  1.0
  O  O29  1  0.350  0.055  0.478  1.0
  O  O30  1  0.945  0.350  0.522  1.0
  O  O31  1  0.055  0.650  0.522  1.0
  O  O32  1  0.623  0.914  0.911  1.0
  O  O33  1  0.377  0.086  0.911  1.0
  O  O34  1  0.914  0.377  0.089  1.0
  O  O35  1  0.086  0.623  0.089  1.0
  O  O36  1  0.346  0.352  0.552  1.0
  O  O37  1  0.654  0.648  0.552  1.0
  O  O38  1  0.352  0.654  0.448  1.0
  O  O39  1  0.648  0.346  0.448  1.0
  O  O40  1  0.341  0.364  0.950  1.0
  O  O41  1  0.659  0.636  0.950  1.0
  O  O42  1  0.364  0.659  0.050  1.0
  O  O43  1  0.636  0.341  0.050  1.0
  O  O44  1  0.215  0.464  0.729  1.0
  O  O45  1  0.785  0.536  0.729  1.0
  O  O46  1  0.464  0.785  0.271  1.0
  O  O47  1  0.536  0.215  0.271  1.0
[/CIF]
.
The material structure described by Na5CuS4(NO6)2 crystallizes in the tetragonal P-4 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one S(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the third Na site, Na(3) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form edge-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form edge-sharing CuS4 tetrahedra. N(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Na(2), one Cu(1), one Cu(2), and one S(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one S(1), one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), and one S(2) atom to form distorted corner-sharing ONa3S tetrahedra. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one N(1) atom. In the third O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one N(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one N(1) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(2) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one S(2) atom. is represented by the CIF card [CIF]
data_Na5CuS4(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.393
_cell_length_b   11.393
_cell_length_c   5.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.855
_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  0.510  0.233  0.743  1.0
  Na  Na1  1  0.490  0.767  0.743  1.0
  Na  Na2  1  0.233  0.490  0.257  1.0
  Na  Na3  1  0.767  0.510  0.257  1.0
  Na  Na4  1  0.803  0.272  0.782  1.0
  Na  Na5  1  0.197  0.728  0.782  1.0
  Na  Na6  1  0.272  0.197  0.218  1.0
  Na  Na7  1  0.728  0.803  0.218  1.0
  Na  Na8  1  0.000  0.500  0.790  1.0
  Na  Na9  1  0.500  0.000  0.210  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
  S  S12  1  0.862  0.906  0.751  1.0
  S  S13  1  0.138  0.094  0.751  1.0
  S  S14  1  0.906  0.138  0.249  1.0
  S  S15  1  0.094  0.862  0.249  1.0
  S  S16  1  0.694  0.976  0.723  1.0
  S  S17  1  0.306  0.024  0.723  1.0
  S  S18  1  0.976  0.306  0.277  1.0
  S  S19  1  0.024  0.694  0.277  1.0
  N  N20  1  0.300  0.393  0.744  1.0
  N  N21  1  0.700  0.607  0.744  1.0
  N  N22  1  0.393  0.700  0.256  1.0
  N  N23  1  0.607  0.300  0.256  1.0
  O  O24  1  0.691  0.104  0.764  1.0
  O  O25  1  0.309  0.896  0.764  1.0
  O  O26  1  0.104  0.309  0.236  1.0
  O  O27  1  0.896  0.691  0.236  1.0
  O  O28  1  0.650  0.945  0.478  1.0
  O  O29  1  0.350  0.055  0.478  1.0
  O  O30  1  0.945  0.350  0.522  1.0
  O  O31  1  0.055  0.650  0.522  1.0
  O  O32  1  0.623  0.914  0.911  1.0
  O  O33  1  0.377  0.086  0.911  1.0
  O  O34  1  0.914  0.377  0.089  1.0
  O  O35  1  0.086  0.623  0.089  1.0
  O  O36  1  0.346  0.352  0.552  1.0
  O  O37  1  0.654  0.648  0.552  1.0
  O  O38  1  0.352  0.654  0.448  1.0
  O  O39  1  0.648  0.346  0.448  1.0
  O  O40  1  0.341  0.364  0.950  1.0
  O  O41  1  0.659  0.636  0.950  1.0
  O  O42  1  0.364  0.659  0.050  1.0
  O  O43  1  0.636  0.341  0.050  1.0
  O  O44  1  0.215  0.464  0.729  1.0
  O  O45  1  0.785  0.536  0.729  1.0
  O  O46  1  0.464  0.785  0.271  1.0
  O  O47  1  0.536  0.215  0.271  1.0
[/CIF]
.