The material structure described by Na4Sn(GeS3)2 crystallizes in the monoclinic C2 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, edges with two equivalent Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(4)S6 octahedra, and edges with three equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Na site, Na(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with two equivalent Na(4)S6 octahedra, corners with two equivalent Sn(1)S6 octahedra, edges with two equivalent Na(1)S6 octahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with three equivalent Na(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Na site, Na(3) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with two equivalent Na(4)S6 octahedra, corners with two equivalent Sn(1)S6 octahedra, edges with two equivalent Na(1)S6 octahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with three equivalent Na(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Na site, Na(4) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, edges with two equivalent Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Sn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, edges with two equivalent Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Na(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Ge(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Sn(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SNa4SnGe octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the second S site, S(2) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Sn(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SNa4SnGe octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the third S site, S(3) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Sn(1), and one Ge(1) atom to form a mixture of edge and corner-sharing SNa4SnGe octahedra. The corner-sharing octahedral tilt angles range from 4-89°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Sn(GeS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.907
_cell_length_b   6.907
_cell_length_c   7.767
_cell_angle_alpha   81.568
_cell_angle_beta   81.568
_cell_angle_gamma   119.566
_symmetry_Int_Tables_number   1
_cell_volume   308.303
_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  0.502  0.498  0.000  1.0
  Na  Na1  1  0.668  0.332  0.500  1.0
  Na  Na2  1  0.332  0.668  0.500  1.0
  Na  Na3  1  0.174  0.826  0.000  1.0
  Sn  Sn4  1  0.830  0.170  0.000  1.0
  Ge  Ge5  1  0.061  0.058  0.336  1.0
  Ge  Ge6  1  0.942  0.939  0.664  1.0
  S  S7  1  0.088  0.397  0.246  1.0
  S  S8  1  0.397  0.084  0.250  1.0
  S  S9  1  0.916  0.603  0.750  1.0
  S  S10  1  0.603  0.912  0.754  1.0
  S  S11  1  0.780  0.791  0.235  1.0
  S  S12  1  0.209  0.220  0.765  1.0
[/CIF]
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The material structure described by Na4Sn(GeS3)2 crystallizes in the monoclinic C2 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, edges with two equivalent Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(4)S6 octahedra, and edges with three equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Na site, Na(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with two equivalent Na(4)S6 octahedra, corners with two equivalent Sn(1)S6 octahedra, edges with two equivalent Na(1)S6 octahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with three equivalent Na(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Na site, Na(3) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with two equivalent Na(4)S6 octahedra, corners with two equivalent Sn(1)S6 octahedra, edges with two equivalent Na(1)S6 octahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with three equivalent Na(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Na site, Na(4) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, edges with two equivalent Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Sn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, edges with two equivalent Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Na(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Ge(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Sn(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SNa4SnGe octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the second S site, S(2) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Sn(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SNa4SnGe octahedra. The corner-sharing octahedral tilt angles range from 1-89°. In the third S site, S(3) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Sn(1), and one Ge(1) atom to form a mixture of edge and corner-sharing SNa4SnGe octahedra. The corner-sharing octahedral tilt angles range from 4-89°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Sn(GeS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.907
_cell_length_b   6.907
_cell_length_c   7.767
_cell_angle_alpha   81.568
_cell_angle_beta   81.568
_cell_angle_gamma   119.566
_symmetry_Int_Tables_number   1
_cell_volume   308.303
_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  0.502  0.498  0.000  1.0
  Na  Na1  1  0.668  0.332  0.500  1.0
  Na  Na2  1  0.332  0.668  0.500  1.0
  Na  Na3  1  0.174  0.826  0.000  1.0
  Sn  Sn4  1  0.830  0.170  0.000  1.0
  Ge  Ge5  1  0.061  0.058  0.336  1.0
  Ge  Ge6  1  0.942  0.939  0.664  1.0
  S  S7  1  0.088  0.397  0.246  1.0
  S  S8  1  0.397  0.084  0.250  1.0
  S  S9  1  0.916  0.603  0.750  1.0
  S  S10  1  0.603  0.912  0.754  1.0
  S  S11  1  0.780  0.791  0.235  1.0
  S  S12  1  0.209  0.220  0.765  1.0
[/CIF]
.