The compound described by ZnSiAs2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one As(2) and three equivalent As(1) atoms to form ZnAs4 tetrahedra that share corners with six equivalent Zn(1)As4 tetrahedra and corners with six equivalent Si(1)As4 tetrahedra. Si(1) is bonded to one As(1) and three equivalent As(2) atoms to form SiAs4 tetrahedra that share corners with six equivalent Zn(1)As4 tetrahedra and corners with six equivalent Si(1)As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Zn(1) and one Si(1) atom to form AsZn3Si tetrahedra that share corners with six equivalent As(1)Zn3Si tetrahedra and corners with six equivalent As(2)ZnSi3 tetrahedra. In the second As site, As(2) is bonded to one Zn(1) and three equivalent Si(1) atoms to form AsZnSi3 tetrahedra that share corners with six equivalent As(1)Zn3Si tetrahedra and corners with six equivalent As(2)ZnSi3 tetrahedra. is represented by the CIF card [CIF]
data_ZnSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   6.894
_cell_angle_alpha   33.817
_cell_angle_beta   33.817
_cell_angle_gamma   33.817
_symmetry_Int_Tables_number   1
_cell_volume   90.441
_cell_formula_units_Z   1
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  0.633  0.633  0.633  1.0
  Si  Si1  1  0.118  0.118  0.118  1.0
  As  As2  1  0.999  0.999  0.999  1.0
  As  As3  1  0.501  0.501  0.501  1.0
[/CIF]
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The compound described by ZnSiAs2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one As(2) and three equivalent As(1) atoms to form ZnAs4 tetrahedra that share corners with six equivalent Zn(1)As4 tetrahedra and corners with six equivalent Si(1)As4 tetrahedra. Si(1) is bonded to one As(1) and three equivalent As(2) atoms to form SiAs4 tetrahedra that share corners with six equivalent Zn(1)As4 tetrahedra and corners with six equivalent Si(1)As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Zn(1) and one Si(1) atom to form AsZn3Si tetrahedra that share corners with six equivalent As(1)Zn3Si tetrahedra and corners with six equivalent As(2)ZnSi3 tetrahedra. In the second As site, As(2) is bonded to one Zn(1) and three equivalent Si(1) atoms to form AsZnSi3 tetrahedra that share corners with six equivalent As(1)Zn3Si tetrahedra and corners with six equivalent As(2)ZnSi3 tetrahedra. is represented by the CIF card [CIF]
data_ZnSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   6.894
_cell_angle_alpha   33.817
_cell_angle_beta   33.817
_cell_angle_gamma   33.817
_symmetry_Int_Tables_number   1
_cell_volume   90.441
_cell_formula_units_Z   1
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  0.633  0.633  0.633  1.0
  Si  Si1  1  0.118  0.118  0.118  1.0
  As  As2  1  0.999  0.999  0.999  1.0
  As  As3  1  0.501  0.501  0.501  1.0
[/CIF]
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