The crystal structure described by Cd3As2 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. In the third Cd site, Cd(3) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are three inequivalent As sites. In the first As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the second As site, As(3) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the third As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.059
_cell_length_b   9.059
_cell_length_c   12.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1044.825
_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
  Cd  Cd0  1  0.250  0.993  0.397  1.0
  Cd  Cd1  1  0.507  0.250  0.897  1.0
  Cd  Cd2  1  0.993  0.250  0.897  1.0
  Cd  Cd3  1  0.750  0.007  0.603  1.0
  Cd  Cd4  1  0.750  0.493  0.603  1.0
  Cd  Cd5  1  0.250  0.507  0.397  1.0
  Cd  Cd6  1  0.493  0.750  0.103  1.0
  Cd  Cd7  1  0.007  0.750  0.103  1.0
  Cd  Cd8  1  0.964  0.750  0.369  1.0
  Cd  Cd9  1  0.536  0.750  0.369  1.0
  Cd  Cd10  1  0.250  0.464  0.131  1.0
  Cd  Cd11  1  0.750  0.536  0.869  1.0
  Cd  Cd12  1  0.750  0.964  0.869  1.0
  Cd  Cd13  1  0.036  0.250  0.631  1.0
  Cd  Cd14  1  0.464  0.250  0.631  1.0
  Cd  Cd15  1  0.250  0.036  0.131  1.0
  Cd  Cd16  1  0.032  0.750  0.647  1.0
  Cd  Cd17  1  0.468  0.750  0.647  1.0
  Cd  Cd18  1  0.250  0.532  0.853  1.0
  Cd  Cd19  1  0.750  0.468  0.147  1.0
  Cd  Cd20  1  0.750  0.032  0.147  1.0
  Cd  Cd21  1  0.968  0.250  0.353  1.0
  Cd  Cd22  1  0.532  0.250  0.353  1.0
  Cd  Cd23  1  0.250  0.968  0.853  1.0
  As  As24  1  0.007  0.507  0.250  1.0
  As  As25  1  0.993  0.007  0.750  1.0
  As  As26  1  0.507  0.493  0.750  1.0
  As  As27  1  0.493  0.993  0.250  1.0
  As  As28  1  0.993  0.493  0.750  1.0
  As  As29  1  0.007  0.993  0.250  1.0
  As  As30  1  0.493  0.507  0.250  1.0
  As  As31  1  0.507  0.007  0.750  1.0
  As  As32  1  0.750  0.750  0.510  1.0
  As  As33  1  0.750  0.750  0.010  1.0
  As  As34  1  0.250  0.250  0.490  1.0
  As  As35  1  0.250  0.250  0.990  1.0
  As  As36  1  0.250  0.750  0.507  1.0
  As  As37  1  0.750  0.250  0.007  1.0
  As  As38  1  0.750  0.250  0.493  1.0
  As  As39  1  0.250  0.750  0.993  1.0
[/CIF]
.
The crystal structure described by Cd3As2 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. In the third Cd site, Cd(3) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are three inequivalent As sites. In the first As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the second As site, As(3) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the third As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.059
_cell_length_b   9.059
_cell_length_c   12.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1044.825
_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
  Cd  Cd0  1  0.250  0.993  0.397  1.0
  Cd  Cd1  1  0.507  0.250  0.897  1.0
  Cd  Cd2  1  0.993  0.250  0.897  1.0
  Cd  Cd3  1  0.750  0.007  0.603  1.0
  Cd  Cd4  1  0.750  0.493  0.603  1.0
  Cd  Cd5  1  0.250  0.507  0.397  1.0
  Cd  Cd6  1  0.493  0.750  0.103  1.0
  Cd  Cd7  1  0.007  0.750  0.103  1.0
  Cd  Cd8  1  0.964  0.750  0.369  1.0
  Cd  Cd9  1  0.536  0.750  0.369  1.0
  Cd  Cd10  1  0.250  0.464  0.131  1.0
  Cd  Cd11  1  0.750  0.536  0.869  1.0
  Cd  Cd12  1  0.750  0.964  0.869  1.0
  Cd  Cd13  1  0.036  0.250  0.631  1.0
  Cd  Cd14  1  0.464  0.250  0.631  1.0
  Cd  Cd15  1  0.250  0.036  0.131  1.0
  Cd  Cd16  1  0.032  0.750  0.647  1.0
  Cd  Cd17  1  0.468  0.750  0.647  1.0
  Cd  Cd18  1  0.250  0.532  0.853  1.0
  Cd  Cd19  1  0.750  0.468  0.147  1.0
  Cd  Cd20  1  0.750  0.032  0.147  1.0
  Cd  Cd21  1  0.968  0.250  0.353  1.0
  Cd  Cd22  1  0.532  0.250  0.353  1.0
  Cd  Cd23  1  0.250  0.968  0.853  1.0
  As  As24  1  0.007  0.507  0.250  1.0
  As  As25  1  0.993  0.007  0.750  1.0
  As  As26  1  0.507  0.493  0.750  1.0
  As  As27  1  0.493  0.993  0.250  1.0
  As  As28  1  0.993  0.493  0.750  1.0
  As  As29  1  0.007  0.993  0.250  1.0
  As  As30  1  0.493  0.507  0.250  1.0
  As  As31  1  0.507  0.007  0.750  1.0
  As  As32  1  0.750  0.750  0.510  1.0
  As  As33  1  0.750  0.750  0.010  1.0
  As  As34  1  0.250  0.250  0.490  1.0
  As  As35  1  0.250  0.250  0.990  1.0
  As  As36  1  0.250  0.750  0.507  1.0
  As  As37  1  0.750  0.250  0.007  1.0
  As  As38  1  0.750  0.250  0.493  1.0
  As  As39  1  0.250  0.750  0.993  1.0
[/CIF]
.