The compound described by Na2PtS2 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent Pt(1), three equivalent S(1), and three equivalent S(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to two equivalent Pt(1), two equivalent S(1), and three equivalent S(2) atoms. Pt(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and two equivalent Pt(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_Na2PtS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.561
_cell_length_b   5.455
_cell_length_c   10.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.052
_symmetry_Int_Tables_number   1
_cell_volume   198.851
_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  0.172  0.344  0.094  1.0
  Na  Na1  1  0.828  0.656  0.594  1.0
  Na  Na2  1  0.431  0.863  0.876  1.0
  Na  Na3  1  0.569  0.137  0.376  1.0
  Pt  Pt4  1  0.865  0.730  0.255  1.0
  Pt  Pt5  1  0.135  0.270  0.755  1.0
  S  S6  1  0.551  0.101  0.636  1.0
  S  S7  1  0.449  0.899  0.136  1.0
  S  S8  1  0.719  0.438  0.873  1.0
  S  S9  1  0.281  0.562  0.373  1.0
[/CIF]
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The compound described by Na2PtS2 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent Pt(1), three equivalent S(1), and three equivalent S(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to two equivalent Pt(1), two equivalent S(1), and three equivalent S(2) atoms. Pt(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and two equivalent Pt(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_Na2PtS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.561
_cell_length_b   5.455
_cell_length_c   10.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.052
_symmetry_Int_Tables_number   1
_cell_volume   198.851
_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  0.172  0.344  0.094  1.0
  Na  Na1  1  0.828  0.656  0.594  1.0
  Na  Na2  1  0.431  0.863  0.876  1.0
  Na  Na3  1  0.569  0.137  0.376  1.0
  Pt  Pt4  1  0.865  0.730  0.255  1.0
  Pt  Pt5  1  0.135  0.270  0.755  1.0
  S  S6  1  0.551  0.101  0.636  1.0
  S  S7  1  0.449  0.899  0.136  1.0
  S  S8  1  0.719  0.438  0.873  1.0
  S  S9  1  0.281  0.562  0.373  1.0
[/CIF]
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