The compound described by NaAs crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to two equivalent As(2) and three equivalent As(1) 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 7-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and two equivalent As(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   6.219
_cell_length_c   10.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.477
_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  0.597  0.408  0.545  1.0
  Na  Na1  1  0.403  0.092  0.045  1.0
  Na  Na2  1  0.903  0.908  0.455  1.0
  Na  Na3  1  0.097  0.592  0.955  1.0
  Na  Na4  1  0.863  0.149  0.828  1.0
  Na  Na5  1  0.137  0.351  0.328  1.0
  Na  Na6  1  0.637  0.649  0.172  1.0
  Na  Na7  1  0.363  0.851  0.672  1.0
  As  As8  1  0.366  0.287  0.790  1.0
  As  As9  1  0.634  0.213  0.290  1.0
  As  As10  1  0.134  0.787  0.210  1.0
  As  As11  1  0.866  0.713  0.710  1.0
  As  As12  1  0.097  0.418  0.623  1.0
  As  As13  1  0.903  0.082  0.123  1.0
  As  As14  1  0.403  0.918  0.377  1.0
  As  As15  1  0.597  0.582  0.877  1.0
[/CIF]
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The compound described by NaAs crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to two equivalent As(2) and three equivalent As(1) 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 7-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and two equivalent As(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   6.219
_cell_length_c   10.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.477
_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  0.597  0.408  0.545  1.0
  Na  Na1  1  0.403  0.092  0.045  1.0
  Na  Na2  1  0.903  0.908  0.455  1.0
  Na  Na3  1  0.097  0.592  0.955  1.0
  Na  Na4  1  0.863  0.149  0.828  1.0
  Na  Na5  1  0.137  0.351  0.328  1.0
  Na  Na6  1  0.637  0.649  0.172  1.0
  Na  Na7  1  0.363  0.851  0.672  1.0
  As  As8  1  0.366  0.287  0.790  1.0
  As  As9  1  0.634  0.213  0.290  1.0
  As  As10  1  0.134  0.787  0.210  1.0
  As  As11  1  0.866  0.713  0.710  1.0
  As  As12  1  0.097  0.418  0.623  1.0
  As  As13  1  0.903  0.082  0.123  1.0
  As  As14  1  0.403  0.918  0.377  1.0
  As  As15  1  0.597  0.582  0.877  1.0
[/CIF]
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