The compound described by Na2SbAs 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 Sb(1) and three equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent Sb(1) and three equivalent As(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent As(1) atoms. As(1) is bonded to three equivalent Na(1), three equivalent Na(2), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing AsNa6Sb2 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Na2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.152
_cell_length_b   6.624
_cell_length_c   12.175
_cell_angle_alpha   62.841
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.505
_cell_formula_units_Z   4
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  0.391  0.772  0.331  1.0
  Na  Na1  1  0.891  0.228  0.169  1.0
  Na  Na2  1  0.609  0.228  0.669  1.0
  Na  Na3  1  0.109  0.772  0.831  1.0
  Na  Na4  1  0.664  0.772  0.032  1.0
  Na  Na5  1  0.164  0.228  0.468  1.0
  Na  Na6  1  0.336  0.228  0.968  1.0
  Na  Na7  1  0.836  0.772  0.532  1.0
  Sb  Sb8  1  0.894  0.684  0.292  1.0
  Sb  Sb9  1  0.394  0.316  0.208  1.0
  Sb  Sb10  1  0.106  0.316  0.708  1.0
  Sb  Sb11  1  0.606  0.684  0.792  1.0
  As  As12  1  0.160  0.699  0.111  1.0
  As  As13  1  0.660  0.301  0.389  1.0
  As  As14  1  0.840  0.301  0.889  1.0
  As  As15  1  0.340  0.699  0.611  1.0
[/CIF]
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The compound described by Na2SbAs 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 Sb(1) and three equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent Sb(1) and three equivalent As(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent As(1) atoms. As(1) is bonded to three equivalent Na(1), three equivalent Na(2), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing AsNa6Sb2 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Na2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.152
_cell_length_b   6.624
_cell_length_c   12.175
_cell_angle_alpha   62.841
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.505
_cell_formula_units_Z   4
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  0.391  0.772  0.331  1.0
  Na  Na1  1  0.891  0.228  0.169  1.0
  Na  Na2  1  0.609  0.228  0.669  1.0
  Na  Na3  1  0.109  0.772  0.831  1.0
  Na  Na4  1  0.664  0.772  0.032  1.0
  Na  Na5  1  0.164  0.228  0.468  1.0
  Na  Na6  1  0.336  0.228  0.968  1.0
  Na  Na7  1  0.836  0.772  0.532  1.0
  Sb  Sb8  1  0.894  0.684  0.292  1.0
  Sb  Sb9  1  0.394  0.316  0.208  1.0
  Sb  Sb10  1  0.106  0.316  0.708  1.0
  Sb  Sb11  1  0.606  0.684  0.792  1.0
  As  As12  1  0.160  0.699  0.111  1.0
  As  As13  1  0.660  0.301  0.389  1.0
  As  As14  1  0.840  0.301  0.889  1.0
  As  As15  1  0.340  0.699  0.611  1.0
[/CIF]
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