The compound described by NaAs crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent As(1) atoms. is represented by the CIF file [CIF]
data_NaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   6.204
_cell_length_c   10.303
_cell_angle_alpha   84.252
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.127
_cell_formula_units_Z   8
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  0.891  0.611  0.170  1.0
  Na  Na1  1  0.391  0.889  0.330  1.0
  Na  Na2  1  0.109  0.389  0.830  1.0
  Na  Na3  1  0.609  0.111  0.670  1.0
  Na  Na4  1  0.163  0.298  0.467  1.0
  Na  Na5  1  0.663  0.202  0.033  1.0
  Na  Na6  1  0.837  0.702  0.533  1.0
  Na  Na7  1  0.337  0.798  0.967  1.0
  As  As8  1  0.394  0.470  0.211  1.0
  As  As9  1  0.894  0.030  0.289  1.0
  As  As10  1  0.606  0.530  0.789  1.0
  As  As11  1  0.106  0.970  0.711  1.0
  As  As12  1  0.661  0.307  0.382  1.0
  As  As13  1  0.161  0.193  0.118  1.0
  As  As14  1  0.339  0.693  0.618  1.0
  As  As15  1  0.839  0.807  0.882  1.0
[/CIF]
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The compound described by NaAs crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent As(1) atoms. is represented by the CIF file [CIF]
data_NaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   6.204
_cell_length_c   10.303
_cell_angle_alpha   84.252
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.127
_cell_formula_units_Z   8
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  0.891  0.611  0.170  1.0
  Na  Na1  1  0.391  0.889  0.330  1.0
  Na  Na2  1  0.109  0.389  0.830  1.0
  Na  Na3  1  0.609  0.111  0.670  1.0
  Na  Na4  1  0.163  0.298  0.467  1.0
  Na  Na5  1  0.663  0.202  0.033  1.0
  Na  Na6  1  0.837  0.702  0.533  1.0
  Na  Na7  1  0.337  0.798  0.967  1.0
  As  As8  1  0.394  0.470  0.211  1.0
  As  As9  1  0.894  0.030  0.289  1.0
  As  As10  1  0.606  0.530  0.789  1.0
  As  As11  1  0.106  0.970  0.711  1.0
  As  As12  1  0.661  0.307  0.382  1.0
  As  As13  1  0.161  0.193  0.118  1.0
  As  As14  1  0.339  0.693  0.618  1.0
  As  As15  1  0.839  0.807  0.882  1.0
[/CIF]
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