The crystal structure described by Na2CdSnS4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent S(1) atoms to form NaS4 tetrahedra that share corners with four equivalent Na(2)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. In the second Na site, Na(2) is bonded to four equivalent S(1) atoms to form NaS4 tetrahedra that share corners with four equivalent Na(1)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with four equivalent Na(1)S4 tetrahedra, corners with four equivalent Na(2)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Na(1)S4 tetrahedra, corners with four equivalent Na(2)S4 tetrahedra, and corners with four equivalent Cd(1)S4 tetrahedra. S(1) is bonded to one Na(1), one Na(2), one Cd(1), and one Sn(1) atom to form corner-sharing SNa2CdSn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CdSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.051
_cell_length_c   6.413
_cell_angle_alpha   62.963
_cell_angle_beta   62.963
_cell_angle_gamma   99.959
_symmetry_Int_Tables_number   1
_cell_volume   222.126
_cell_formula_units_Z   1
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  0.514  0.486  0.500  1.0
  Na  Na1  1  0.764  0.236  0.000  1.0
  Cd  Cd2  1  0.014  0.986  0.500  1.0
  Sn  Sn3  1  0.264  0.736  0.000  1.0
  S  S4  1  0.930  0.647  0.975  1.0
  S  S5  1  0.623  0.849  0.552  1.0
  S  S6  1  0.151  0.377  0.448  1.0
  S  S7  1  0.353  0.070  0.025  1.0
[/CIF]
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The crystal structure described by Na2CdSnS4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent S(1) atoms to form NaS4 tetrahedra that share corners with four equivalent Na(2)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. In the second Na site, Na(2) is bonded to four equivalent S(1) atoms to form NaS4 tetrahedra that share corners with four equivalent Na(1)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with four equivalent Na(1)S4 tetrahedra, corners with four equivalent Na(2)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Na(1)S4 tetrahedra, corners with four equivalent Na(2)S4 tetrahedra, and corners with four equivalent Cd(1)S4 tetrahedra. S(1) is bonded to one Na(1), one Na(2), one Cd(1), and one Sn(1) atom to form corner-sharing SNa2CdSn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CdSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.051
_cell_length_c   6.413
_cell_angle_alpha   62.963
_cell_angle_beta   62.963
_cell_angle_gamma   99.959
_symmetry_Int_Tables_number   1
_cell_volume   222.126
_cell_formula_units_Z   1
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  0.514  0.486  0.500  1.0
  Na  Na1  1  0.764  0.236  0.000  1.0
  Cd  Cd2  1  0.014  0.986  0.500  1.0
  Sn  Sn3  1  0.264  0.736  0.000  1.0
  S  S4  1  0.930  0.647  0.975  1.0
  S  S5  1  0.623  0.849  0.552  1.0
  S  S6  1  0.151  0.377  0.448  1.0
  S  S7  1  0.353  0.070  0.025  1.0
[/CIF]
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