The crystal structure described by Na3As crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a trigonal planar geometry to three equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a trigonal planar geometry to three equivalent As(1) atoms. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. In the fourth Na site, Na(4) is bonded in a 2-coordinate geometry to four equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to one Na(1), two equivalent Na(2), three equivalent Na(3), and four equivalent Na(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.723
_cell_length_b   8.723
_cell_length_c   8.938
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.006
_symmetry_Int_Tables_number   1
_cell_volume   588.921
_cell_formula_units_Z   6
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  1.000  1.000  0.792  1.0
  Na  Na1  1  0.000  0.000  0.292  1.0
  Na  Na2  1  0.667  0.333  0.228  1.0
  Na  Na3  1  0.333  0.667  0.728  1.0
  Na  Na4  1  0.667  0.333  0.728  1.0
  Na  Na5  1  0.333  0.667  0.228  1.0
  Na  Na6  1  0.301  1.000  0.582  1.0
  Na  Na7  1  0.301  0.301  0.082  1.0
  Na  Na8  1  0.000  0.699  0.082  1.0
  Na  Na9  1  1.000  0.301  0.582  1.0
  Na  Na10  1  0.699  0.699  0.582  1.0
  Na  Na11  1  0.699  0.000  0.082  1.0
  Na  Na12  1  0.361  1.000  0.919  1.0
  Na  Na13  1  0.361  0.361  0.419  1.0
  Na  Na14  1  0.000  0.639  0.419  1.0
  Na  Na15  1  1.000  0.361  0.919  1.0
  Na  Na16  1  0.639  0.639  0.919  1.0
  Na  Na17  1  0.639  0.000  0.419  1.0
  As  As18  1  0.669  0.000  0.751  1.0
  As  As19  1  0.669  0.669  0.251  1.0
  As  As20  1  1.000  0.331  0.251  1.0
  As  As21  1  0.000  0.669  0.751  1.0
  As  As22  1  0.331  0.331  0.751  1.0
  As  As23  1  0.331  1.000  0.251  1.0
[/CIF]
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The crystal structure described by Na3As crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a trigonal planar geometry to three equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a trigonal planar geometry to three equivalent As(1) atoms. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. In the fourth Na site, Na(4) is bonded in a 2-coordinate geometry to four equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to one Na(1), two equivalent Na(2), three equivalent Na(3), and four equivalent Na(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.723
_cell_length_b   8.723
_cell_length_c   8.938
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.006
_symmetry_Int_Tables_number   1
_cell_volume   588.921
_cell_formula_units_Z   6
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  1.000  1.000  0.792  1.0
  Na  Na1  1  0.000  0.000  0.292  1.0
  Na  Na2  1  0.667  0.333  0.228  1.0
  Na  Na3  1  0.333  0.667  0.728  1.0
  Na  Na4  1  0.667  0.333  0.728  1.0
  Na  Na5  1  0.333  0.667  0.228  1.0
  Na  Na6  1  0.301  1.000  0.582  1.0
  Na  Na7  1  0.301  0.301  0.082  1.0
  Na  Na8  1  0.000  0.699  0.082  1.0
  Na  Na9  1  1.000  0.301  0.582  1.0
  Na  Na10  1  0.699  0.699  0.582  1.0
  Na  Na11  1  0.699  0.000  0.082  1.0
  Na  Na12  1  0.361  1.000  0.919  1.0
  Na  Na13  1  0.361  0.361  0.419  1.0
  Na  Na14  1  0.000  0.639  0.419  1.0
  Na  Na15  1  1.000  0.361  0.919  1.0
  Na  Na16  1  0.639  0.639  0.919  1.0
  Na  Na17  1  0.639  0.000  0.419  1.0
  As  As18  1  0.669  0.000  0.751  1.0
  As  As19  1  0.669  0.669  0.251  1.0
  As  As20  1  1.000  0.331  0.251  1.0
  As  As21  1  0.000  0.669  0.751  1.0
  As  As22  1  0.331  0.331  0.751  1.0
  As  As23  1  0.331  1.000  0.251  1.0
[/CIF]
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