The structure described by Na2PtSe2 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 7-coordinate geometry to two equivalent Pt(1), two equivalent Se(1), and three equivalent Se(2) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent Pt(1), three equivalent Se(1), and three equivalent Se(2) atoms. Pt(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Se(1), and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Na(1), three equivalent Na(2), and two equivalent Pt(1) atoms to form a mixture of distorted corner and edge-sharing SeNa5Pt2 pentagonal bipyramids. In the second Se site, Se(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 card [CIF]
data_Na2PtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.707
_cell_length_b   5.670
_cell_length_c   11.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.082
_symmetry_Int_Tables_number   1
_cell_volume   224.324
_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  0.437  0.874  0.868  1.0
  Na  Na1  1  0.563  0.126  0.368  1.0
  Na  Na2  1  0.825  0.651  0.599  1.0
  Na  Na3  1  0.175  0.349  0.099  1.0
  Pt  Pt4  1  0.136  0.272  0.752  1.0
  Pt  Pt5  1  0.864  0.728  0.252  1.0
  Se  Se6  1  0.551  0.102  0.630  1.0
  Se  Se7  1  0.449  0.898  0.130  1.0
  Se  Se8  1  0.721  0.443  0.874  1.0
  Se  Se9  1  0.279  0.557  0.374  1.0
[/CIF]
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The structure described by Na2PtSe2 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 7-coordinate geometry to two equivalent Pt(1), two equivalent Se(1), and three equivalent Se(2) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent Pt(1), three equivalent Se(1), and three equivalent Se(2) atoms. Pt(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Se(1), and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Na(1), three equivalent Na(2), and two equivalent Pt(1) atoms to form a mixture of distorted corner and edge-sharing SeNa5Pt2 pentagonal bipyramids. In the second Se site, Se(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 card [CIF]
data_Na2PtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.707
_cell_length_b   5.670
_cell_length_c   11.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.082
_symmetry_Int_Tables_number   1
_cell_volume   224.324
_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  0.437  0.874  0.868  1.0
  Na  Na1  1  0.563  0.126  0.368  1.0
  Na  Na2  1  0.825  0.651  0.599  1.0
  Na  Na3  1  0.175  0.349  0.099  1.0
  Pt  Pt4  1  0.136  0.272  0.752  1.0
  Pt  Pt5  1  0.864  0.728  0.252  1.0
  Se  Se6  1  0.551  0.102  0.630  1.0
  Se  Se7  1  0.449  0.898  0.130  1.0
  Se  Se8  1  0.721  0.443  0.874  1.0
  Se  Se9  1  0.279  0.557  0.374  1.0
[/CIF]
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