The crystal structure described by NiAg2Sn3S8 crystallizes in the triclinic P-1 space group. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(2) and two equivalent S(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(4) atoms. In the second Ag site, Ag(2) is bonded in a distorted square co-planar geometry to two equivalent S(1) and two equivalent S(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one S(3), two equivalent S(1), and two equivalent S(4) atoms. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), one Ag(2), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SAg2Sn2 tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(2), and one S(3) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ni(1), one Ag(2), one Sn(1), and one S(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ag(1), one Sn(2), and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_NiAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.120
_cell_length_b   7.746
_cell_length_c   7.957
_cell_angle_alpha   94.215
_cell_angle_beta   109.879
_cell_angle_gamma   116.599
_symmetry_Int_Tables_number   1
_cell_volume   355.455
_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
  Ni  Ni0  1  0.500  0.000  0.000  1.0
  Ag  Ag1  1  0.500  0.000  0.500  1.0
  Ag  Ag2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.256  0.450  0.584  1.0
  Sn  Sn4  1  0.744  0.550  0.416  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.144  0.652  0.367  1.0
  S  S7  1  0.308  0.131  0.847  1.0
  S  S8  1  0.636  0.320  0.056  1.0
  S  S9  1  0.732  0.815  0.680  1.0
  S  S10  1  0.856  0.348  0.633  1.0
  S  S11  1  0.692  0.869  0.153  1.0
  S  S12  1  0.364  0.680  0.944  1.0
  S  S13  1  0.268  0.185  0.320  1.0
[/CIF]
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The crystal structure described by NiAg2Sn3S8 crystallizes in the triclinic P-1 space group. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(2) and two equivalent S(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(4) atoms. In the second Ag site, Ag(2) is bonded in a distorted square co-planar geometry to two equivalent S(1) and two equivalent S(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one S(3), two equivalent S(1), and two equivalent S(4) atoms. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), one Ag(2), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SAg2Sn2 tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(2), and one S(3) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Ni(1), one Ag(2), one Sn(1), and one S(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ag(1), one Sn(2), and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_NiAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.120
_cell_length_b   7.746
_cell_length_c   7.957
_cell_angle_alpha   94.215
_cell_angle_beta   109.879
_cell_angle_gamma   116.599
_symmetry_Int_Tables_number   1
_cell_volume   355.455
_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
  Ni  Ni0  1  0.500  0.000  0.000  1.0
  Ag  Ag1  1  0.500  0.000  0.500  1.0
  Ag  Ag2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.256  0.450  0.584  1.0
  Sn  Sn4  1  0.744  0.550  0.416  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.144  0.652  0.367  1.0
  S  S7  1  0.308  0.131  0.847  1.0
  S  S8  1  0.636  0.320  0.056  1.0
  S  S9  1  0.732  0.815  0.680  1.0
  S  S10  1  0.856  0.348  0.633  1.0
  S  S11  1  0.692  0.869  0.153  1.0
  S  S12  1  0.364  0.680  0.944  1.0
  S  S13  1  0.268  0.185  0.320  1.0
[/CIF]
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