The structure described by YCuZnAs2 crystallizes in the trigonal P3m1 space group. Y(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form distorted YAs6 octahedra that share corners with six equivalent Zn(1)As4 tetrahedra, edges with six equivalent Y(1)As6 octahedra, and edges with three equivalent Zn(1)As4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to one As(1) and three equivalent As(2) atoms. Zn(1) is bonded to one As(2) and three equivalent As(1) atoms to form distorted ZnAs4 tetrahedra that share corners with six equivalent Y(1)As6 octahedra, corners with six equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Y(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 18-56°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Y(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted AsY3Zn3Cu pentagonal bipyramids that share corners with three equivalent As(2)Y3ZnCu3 pentagonal bipyramids, edges with six equivalent As(1)Y3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Y3ZnCu3 pentagonal bipyramids. In the second As site, As(2) is bonded to three equivalent Y(1), three equivalent Cu(1), and one Zn(1) atom to form distorted AsY3ZnCu3 pentagonal bipyramids that share corners with three equivalent As(1)Y3Zn3Cu pentagonal bipyramids, edges with six equivalent As(1)Y3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Y3ZnCu3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_YZnCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   4.118
_cell_length_c   6.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.932
_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
  Y  Y0  1  0.000  0.000  0.983  1.0
  Zn  Zn1  1  0.667  0.333  0.377  1.0
  Cu  Cu2  1  0.333  0.667  0.640  1.0
  As  As3  1  0.333  0.667  0.251  1.0
  As  As4  1  0.667  0.333  0.748  1.0
[/CIF]
.
The structure described by YCuZnAs2 crystallizes in the trigonal P3m1 space group. Y(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form distorted YAs6 octahedra that share corners with six equivalent Zn(1)As4 tetrahedra, edges with six equivalent Y(1)As6 octahedra, and edges with three equivalent Zn(1)As4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to one As(1) and three equivalent As(2) atoms. Zn(1) is bonded to one As(2) and three equivalent As(1) atoms to form distorted ZnAs4 tetrahedra that share corners with six equivalent Y(1)As6 octahedra, corners with six equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Y(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 18-56°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Y(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted AsY3Zn3Cu pentagonal bipyramids that share corners with three equivalent As(2)Y3ZnCu3 pentagonal bipyramids, edges with six equivalent As(1)Y3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Y3ZnCu3 pentagonal bipyramids. In the second As site, As(2) is bonded to three equivalent Y(1), three equivalent Cu(1), and one Zn(1) atom to form distorted AsY3ZnCu3 pentagonal bipyramids that share corners with three equivalent As(1)Y3Zn3Cu pentagonal bipyramids, edges with six equivalent As(1)Y3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Y3ZnCu3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_YZnCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   4.118
_cell_length_c   6.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.932
_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
  Y  Y0  1  0.000  0.000  0.983  1.0
  Zn  Zn1  1  0.667  0.333  0.377  1.0
  Cu  Cu2  1  0.333  0.667  0.640  1.0
  As  As3  1  0.333  0.667  0.251  1.0
  As  As4  1  0.667  0.333  0.748  1.0
[/CIF]
.