The material described by Na3AlAs2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent Al(1) and four equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. Al(1) is bonded to four equivalent Na(1) and four equivalent As(1) atoms to form distorted face-sharing AlNa4As4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3AlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.928
_cell_length_c   8.205
_cell_angle_alpha   114.973
_cell_angle_beta   112.039
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.870
_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  0.311  0.625  0.621  1.0
  Na  Na1  1  0.689  0.375  0.379  1.0
  Na  Na2  1  0.189  0.003  0.379  1.0
  Na  Na3  1  0.811  0.997  0.621  1.0
  Na  Na4  1  0.250  0.500  0.000  1.0
  Na  Na5  1  0.750  0.500  0.000  1.0
  Al  Al6  1  0.750  0.000  0.000  1.0
  Al  Al7  1  0.250  0.000  0.000  1.0
  As  As8  1  0.896  0.695  0.793  1.0
  As  As9  1  0.104  0.305  0.207  1.0
  As  As10  1  0.604  0.902  0.207  1.0
  As  As11  1  0.396  0.098  0.793  1.0
[/CIF]
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The material described by Na3AlAs2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent Al(1) and four equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. Al(1) is bonded to four equivalent Na(1) and four equivalent As(1) atoms to form distorted face-sharing AlNa4As4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3AlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.928
_cell_length_c   8.205
_cell_angle_alpha   114.973
_cell_angle_beta   112.039
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.870
_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  0.311  0.625  0.621  1.0
  Na  Na1  1  0.689  0.375  0.379  1.0
  Na  Na2  1  0.189  0.003  0.379  1.0
  Na  Na3  1  0.811  0.997  0.621  1.0
  Na  Na4  1  0.250  0.500  0.000  1.0
  Na  Na5  1  0.750  0.500  0.000  1.0
  Al  Al6  1  0.750  0.000  0.000  1.0
  Al  Al7  1  0.250  0.000  0.000  1.0
  As  As8  1  0.896  0.695  0.793  1.0
  As  As9  1  0.104  0.305  0.207  1.0
  As  As10  1  0.604  0.902  0.207  1.0
  As  As11  1  0.396  0.098  0.793  1.0
[/CIF]
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