The material described by YbCuZnAs2 crystallizes in the trigonal P3m1 space group. Yb(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form YbAs6 octahedra that share corners with six equivalent Zn(1)As4 tetrahedra, edges with six equivalent Yb(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 Yb(1)As6 octahedra, corners with six equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Yb(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 19-53°. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to three equivalent Yb(1), one Cu(1), and three equivalent Zn(1) atoms. In the second As site, As(2) is bonded to three equivalent Yb(1), three equivalent Cu(1), and one Zn(1) atom to form distorted edge-sharing AsYb3ZnCu3 pentagonal bipyramids. is represented by the CIF file [CIF]
data_YbZnCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.090
_cell_length_c   6.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.822
_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
  Yb  Yb0  1  0.333  0.667  0.996  1.0
  Zn  Zn1  1  0.000  0.000  0.375  1.0
  Cu  Cu2  1  0.667  0.333  0.634  1.0
  As  As3  1  0.667  0.333  0.257  1.0
  As  As4  1  0.000  0.000  0.738  1.0
[/CIF]
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The material described by YbCuZnAs2 crystallizes in the trigonal P3m1 space group. Yb(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form YbAs6 octahedra that share corners with six equivalent Zn(1)As4 tetrahedra, edges with six equivalent Yb(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 Yb(1)As6 octahedra, corners with six equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Yb(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 19-53°. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to three equivalent Yb(1), one Cu(1), and three equivalent Zn(1) atoms. In the second As site, As(2) is bonded to three equivalent Yb(1), three equivalent Cu(1), and one Zn(1) atom to form distorted edge-sharing AsYb3ZnCu3 pentagonal bipyramids. is represented by the CIF file [CIF]
data_YbZnCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.090
_cell_length_c   6.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.822
_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
  Yb  Yb0  1  0.333  0.667  0.996  1.0
  Zn  Zn1  1  0.000  0.000  0.375  1.0
  Cu  Cu2  1  0.667  0.333  0.634  1.0
  As  As3  1  0.667  0.333  0.257  1.0
  As  As4  1  0.000  0.000  0.738  1.0
[/CIF]
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