The crystal structure described by NaPt3B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 20-coordinate geometry to two equivalent Na(2), twelve equivalent Pt(1), and six equivalent B(1) atoms. In the second Na site, Na(2) is bonded in a 14-coordinate geometry to two equivalent Na(1) and twelve equivalent Pt(1) atoms. Pt(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and six equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.555
_cell_length_c   5.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.031
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.667  0.333  0.500  1.0
  B  B3  1  0.333  0.667  0.500  1.0
  Pt  Pt4  1  0.500  0.500  0.758  1.0
  Pt  Pt5  1  0.000  0.500  0.758  1.0
  Pt  Pt6  1  0.500  0.000  0.758  1.0
  Pt  Pt7  1  0.000  0.500  0.242  1.0
  Pt  Pt8  1  0.500  0.500  0.242  1.0
  Pt  Pt9  1  0.500  0.000  0.242  1.0
[/CIF]
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The crystal structure described by NaPt3B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 20-coordinate geometry to two equivalent Na(2), twelve equivalent Pt(1), and six equivalent B(1) atoms. In the second Na site, Na(2) is bonded in a 14-coordinate geometry to two equivalent Na(1) and twelve equivalent Pt(1) atoms. Pt(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and six equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.555
_cell_length_c   5.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.031
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.667  0.333  0.500  1.0
  B  B3  1  0.333  0.667  0.500  1.0
  Pt  Pt4  1  0.500  0.500  0.758  1.0
  Pt  Pt5  1  0.000  0.500  0.758  1.0
  Pt  Pt6  1  0.500  0.000  0.758  1.0
  Pt  Pt7  1  0.000  0.500  0.242  1.0
  Pt  Pt8  1  0.500  0.500  0.242  1.0
  Pt  Pt9  1  0.500  0.000  0.242  1.0
[/CIF]
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