The crystal structure described by Zn3As2 crystallizes in the cubic Ia-3 space group. Zn(1) is bonded to one As(1) and three equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted octahedral geometry to six equivalent Zn(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.184
_cell_length_b   10.184
_cell_length_c   10.184
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   813.054
_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
  Zn  Zn0  1  0.478  0.230  0.468  1.0
  Zn  Zn1  1  0.238  0.270  0.748  1.0
  Zn  Zn2  1  0.022  0.490  0.752  1.0
  Zn  Zn3  1  0.262  0.010  0.032  1.0
  Zn  Zn4  1  0.230  0.468  0.478  1.0
  Zn  Zn5  1  0.270  0.748  0.238  1.0
  Zn  Zn6  1  0.490  0.752  0.022  1.0
  Zn  Zn7  1  0.010  0.032  0.262  1.0
  Zn  Zn8  1  0.468  0.478  0.230  1.0
  Zn  Zn9  1  0.748  0.238  0.270  1.0
  Zn  Zn10  1  0.752  0.022  0.490  1.0
  Zn  Zn11  1  0.032  0.262  0.010  1.0
  Zn  Zn12  1  0.522  0.770  0.532  1.0
  Zn  Zn13  1  0.762  0.730  0.252  1.0
  Zn  Zn14  1  0.978  0.510  0.248  1.0
  Zn  Zn15  1  0.738  0.990  0.968  1.0
  Zn  Zn16  1  0.770  0.532  0.522  1.0
  Zn  Zn17  1  0.730  0.252  0.762  1.0
  Zn  Zn18  1  0.510  0.248  0.978  1.0
  Zn  Zn19  1  0.990  0.968  0.738  1.0
  Zn  Zn20  1  0.532  0.522  0.770  1.0
  Zn  Zn21  1  0.252  0.762  0.730  1.0
  Zn  Zn22  1  0.248  0.978  0.510  1.0
  Zn  Zn23  1  0.968  0.738  0.990  1.0
  As  As24  1  0.500  0.000  0.500  1.0
  As  As25  1  0.500  0.500  0.000  1.0
  As  As26  1  0.000  0.500  0.500  1.0
  As  As27  1  0.000  0.000  0.000  1.0
  As  As28  1  0.759  0.250  0.009  1.0
  As  As29  1  0.741  0.750  0.491  1.0
  As  As30  1  0.250  0.009  0.759  1.0
  As  As31  1  0.750  0.491  0.741  1.0
  As  As32  1  0.009  0.759  0.250  1.0
  As  As33  1  0.491  0.741  0.750  1.0
  As  As34  1  0.241  0.750  0.991  1.0
  As  As35  1  0.259  0.250  0.509  1.0
  As  As36  1  0.750  0.991  0.241  1.0
  As  As37  1  0.250  0.509  0.259  1.0
  As  As38  1  0.991  0.241  0.750  1.0
  As  As39  1  0.509  0.259  0.250  1.0
[/CIF]
.
The crystal structure described by Zn3As2 crystallizes in the cubic Ia-3 space group. Zn(1) is bonded to one As(1) and three equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted octahedral geometry to six equivalent Zn(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.184
_cell_length_b   10.184
_cell_length_c   10.184
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   813.054
_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
  Zn  Zn0  1  0.478  0.230  0.468  1.0
  Zn  Zn1  1  0.238  0.270  0.748  1.0
  Zn  Zn2  1  0.022  0.490  0.752  1.0
  Zn  Zn3  1  0.262  0.010  0.032  1.0
  Zn  Zn4  1  0.230  0.468  0.478  1.0
  Zn  Zn5  1  0.270  0.748  0.238  1.0
  Zn  Zn6  1  0.490  0.752  0.022  1.0
  Zn  Zn7  1  0.010  0.032  0.262  1.0
  Zn  Zn8  1  0.468  0.478  0.230  1.0
  Zn  Zn9  1  0.748  0.238  0.270  1.0
  Zn  Zn10  1  0.752  0.022  0.490  1.0
  Zn  Zn11  1  0.032  0.262  0.010  1.0
  Zn  Zn12  1  0.522  0.770  0.532  1.0
  Zn  Zn13  1  0.762  0.730  0.252  1.0
  Zn  Zn14  1  0.978  0.510  0.248  1.0
  Zn  Zn15  1  0.738  0.990  0.968  1.0
  Zn  Zn16  1  0.770  0.532  0.522  1.0
  Zn  Zn17  1  0.730  0.252  0.762  1.0
  Zn  Zn18  1  0.510  0.248  0.978  1.0
  Zn  Zn19  1  0.990  0.968  0.738  1.0
  Zn  Zn20  1  0.532  0.522  0.770  1.0
  Zn  Zn21  1  0.252  0.762  0.730  1.0
  Zn  Zn22  1  0.248  0.978  0.510  1.0
  Zn  Zn23  1  0.968  0.738  0.990  1.0
  As  As24  1  0.500  0.000  0.500  1.0
  As  As25  1  0.500  0.500  0.000  1.0
  As  As26  1  0.000  0.500  0.500  1.0
  As  As27  1  0.000  0.000  0.000  1.0
  As  As28  1  0.759  0.250  0.009  1.0
  As  As29  1  0.741  0.750  0.491  1.0
  As  As30  1  0.250  0.009  0.759  1.0
  As  As31  1  0.750  0.491  0.741  1.0
  As  As32  1  0.009  0.759  0.250  1.0
  As  As33  1  0.491  0.741  0.750  1.0
  As  As34  1  0.241  0.750  0.991  1.0
  As  As35  1  0.259  0.250  0.509  1.0
  As  As36  1  0.750  0.991  0.241  1.0
  As  As37  1  0.250  0.509  0.259  1.0
  As  As38  1  0.991  0.241  0.750  1.0
  As  As39  1  0.509  0.259  0.250  1.0
[/CIF]
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