The compound described by Na2SnS crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(1) atoms. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to one Sn(1) and three equivalent Sn(2) atoms. In the third Na site, Na(3) is bonded in a distorted linear geometry to two equivalent Sn(2) atoms. In the fourth Na site, Na(4) is bonded in a single-bond geometry to one Sn(2) and one S(2) atom. In the fifth Na site, Na(5) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Na(2), two equivalent S(1), and two equivalent S(2) atoms to form distorted edge-sharing SnNaS4 trigonal bipyramids. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Na(3), one Na(4), three equivalent Na(2), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Na(5), two equivalent Na(1), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of edge and corner-sharing SNa3Sn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second S site, S(2) is bonded to one Na(1), one Na(4), one Na(5), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of edge and corner-sharing SNa3Sn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.727
_cell_length_b   6.866
_cell_length_c   10.848
_cell_angle_alpha   89.042
_cell_angle_beta   107.330
_cell_angle_gamma   98.194
_symmetry_Int_Tables_number   1
_cell_volume   473.222
_cell_formula_units_Z   4
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  0.002  0.010  0.831  1.0
  Na  Na1  1  0.500  0.751  0.590  1.0
  Na  Na2  1  0.500  0.249  0.410  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.016  0.501  0.338  1.0
  Na  Na5  1  0.998  0.990  0.169  1.0
  Na  Na6  1  0.000  0.500  0.000  1.0
  Na  Na7  1  0.984  0.499  0.662  1.0
  Sn  Sn8  1  0.504  0.247  0.105  1.0
  Sn  Sn9  1  0.490  0.249  0.725  1.0
  Sn  Sn10  1  0.510  0.751  0.275  1.0
  Sn  Sn11  1  0.496  0.753  0.894  1.0
  S  S12  1  0.730  0.143  0.956  1.0
  S  S13  1  0.733  0.633  0.125  1.0
  S  S14  1  0.270  0.857  0.044  1.0
  S  S15  1  0.267  0.367  0.875  1.0
[/CIF]
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The compound described by Na2SnS crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(1) atoms. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to one Sn(1) and three equivalent Sn(2) atoms. In the third Na site, Na(3) is bonded in a distorted linear geometry to two equivalent Sn(2) atoms. In the fourth Na site, Na(4) is bonded in a single-bond geometry to one Sn(2) and one S(2) atom. In the fifth Na site, Na(5) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Na(2), two equivalent S(1), and two equivalent S(2) atoms to form distorted edge-sharing SnNaS4 trigonal bipyramids. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Na(3), one Na(4), three equivalent Na(2), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Na(5), two equivalent Na(1), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of edge and corner-sharing SNa3Sn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second S site, S(2) is bonded to one Na(1), one Na(4), one Na(5), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of edge and corner-sharing SNa3Sn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.727
_cell_length_b   6.866
_cell_length_c   10.848
_cell_angle_alpha   89.042
_cell_angle_beta   107.330
_cell_angle_gamma   98.194
_symmetry_Int_Tables_number   1
_cell_volume   473.222
_cell_formula_units_Z   4
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  0.002  0.010  0.831  1.0
  Na  Na1  1  0.500  0.751  0.590  1.0
  Na  Na2  1  0.500  0.249  0.410  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.016  0.501  0.338  1.0
  Na  Na5  1  0.998  0.990  0.169  1.0
  Na  Na6  1  0.000  0.500  0.000  1.0
  Na  Na7  1  0.984  0.499  0.662  1.0
  Sn  Sn8  1  0.504  0.247  0.105  1.0
  Sn  Sn9  1  0.490  0.249  0.725  1.0
  Sn  Sn10  1  0.510  0.751  0.275  1.0
  Sn  Sn11  1  0.496  0.753  0.894  1.0
  S  S12  1  0.730  0.143  0.956  1.0
  S  S13  1  0.733  0.633  0.125  1.0
  S  S14  1  0.270  0.857  0.044  1.0
  S  S15  1  0.267  0.367  0.875  1.0
[/CIF]
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