The material described by PrAgZnAs2 crystallizes in the trigonal P3m1 space group. Pr(1) is bonded to three equivalent Ag(1), three equivalent As(1), and three equivalent As(2) atoms to form distorted PrAg3As6 octahedra that share corners with three equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, corners with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, corners with six equivalent Ag(1)Pr3Zn3As4 tetrahedra, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, edges with three equivalent Ag(1)Pr3Zn3As4 tetrahedra, edges with three equivalent Zn(1)Ag3As4 tetrahedra, faces with six equivalent Pr(1)Ag3As6 octahedra, and faces with three equivalent Zn(1)Ag3As4 tetrahedra. Ag(1) is bonded to three equivalent Pr(1), three equivalent Zn(1), one As(1), and three equivalent As(2) atoms to form distorted AgPr3Zn3As4 tetrahedra that share corners with six equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, corners with twelve equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, edges with three equivalent Pr(1)Ag3As6 octahedra, edges with three equivalent Zn(1)Ag3As4 tetrahedra, faces with two equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, faces with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, and faces with six equivalent Ag(1)Pr3Zn3As4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-54°. Zn(1) is bonded to three equivalent Ag(1), one As(2), and three equivalent As(1) atoms to form distorted ZnAg3As4 tetrahedra that share corners with six equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, corners with six equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, edges with three equivalent Pr(1)Ag3As6 octahedra, edges with three equivalent Ag(1)Pr3Zn3As4 tetrahedra, edges with six equivalent Zn(1)Ag3As4 tetrahedra, faces with three equivalent Pr(1)Ag3As6 octahedra, and  a faceface with one As(2)Pr3ZnAg3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-17°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Pr(1), one Ag(1), and three equivalent Zn(1) atoms to form distorted AsPr3Zn3Ag pentagonal bipyramids that share corners with three equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, corners with three equivalent Zn(1)Ag3As4 tetrahedra, corners with twelve equivalent Ag(1)Pr3Zn3As4 tetrahedra, edges with six equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, edges with six equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, and faces with two equivalent Ag(1)Pr3Zn3As4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second As site, As(2) is bonded to three equivalent Pr(1), three equivalent Ag(1), and one Zn(1) atom to form distorted AsPr3ZnAg3 pentagonal bipyramids that share corners with three equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, corners with three equivalent Ag(1)Pr3Zn3As4 tetrahedra, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent Pr(1)Ag3As6 octahedra, edges with six equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, edges with six equivalent As(2)Pr3ZnAg3 pentagonal bipyramids,  a faceface with one Zn(1)Ag3As4 tetrahedra, and faces with three equivalent Ag(1)Pr3Zn3As4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the CIF file [CIF]
data_PrZnAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.350
_cell_length_b   4.350
_cell_length_c   6.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.474
_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
  Pr  Pr0  1  0.000  0.000  0.986  1.0
  Zn  Zn1  1  0.667  0.333  0.374  1.0
  Ag  Ag2  1  0.333  0.667  0.638  1.0
  As  As3  1  0.333  0.667  0.249  1.0
  As  As4  1  0.667  0.333  0.753  1.0
[/CIF]
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The material described by PrAgZnAs2 crystallizes in the trigonal P3m1 space group. Pr(1) is bonded to three equivalent Ag(1), three equivalent As(1), and three equivalent As(2) atoms to form distorted PrAg3As6 octahedra that share corners with three equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, corners with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, corners with six equivalent Ag(1)Pr3Zn3As4 tetrahedra, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, edges with three equivalent Ag(1)Pr3Zn3As4 tetrahedra, edges with three equivalent Zn(1)Ag3As4 tetrahedra, faces with six equivalent Pr(1)Ag3As6 octahedra, and faces with three equivalent Zn(1)Ag3As4 tetrahedra. Ag(1) is bonded to three equivalent Pr(1), three equivalent Zn(1), one As(1), and three equivalent As(2) atoms to form distorted AgPr3Zn3As4 tetrahedra that share corners with six equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, corners with twelve equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, edges with three equivalent Pr(1)Ag3As6 octahedra, edges with three equivalent Zn(1)Ag3As4 tetrahedra, faces with two equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, faces with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, and faces with six equivalent Ag(1)Pr3Zn3As4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-54°. Zn(1) is bonded to three equivalent Ag(1), one As(2), and three equivalent As(1) atoms to form distorted ZnAg3As4 tetrahedra that share corners with six equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, corners with six equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, edges with three equivalent Pr(1)Ag3As6 octahedra, edges with three equivalent Ag(1)Pr3Zn3As4 tetrahedra, edges with six equivalent Zn(1)Ag3As4 tetrahedra, faces with three equivalent Pr(1)Ag3As6 octahedra, and  a faceface with one As(2)Pr3ZnAg3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-17°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Pr(1), one Ag(1), and three equivalent Zn(1) atoms to form distorted AsPr3Zn3Ag pentagonal bipyramids that share corners with three equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, corners with three equivalent Zn(1)Ag3As4 tetrahedra, corners with twelve equivalent Ag(1)Pr3Zn3As4 tetrahedra, edges with six equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, edges with six equivalent As(2)Pr3ZnAg3 pentagonal bipyramids, and faces with two equivalent Ag(1)Pr3Zn3As4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second As site, As(2) is bonded to three equivalent Pr(1), three equivalent Ag(1), and one Zn(1) atom to form distorted AsPr3ZnAg3 pentagonal bipyramids that share corners with three equivalent Pr(1)Ag3As6 octahedra, corners with three equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, corners with three equivalent Ag(1)Pr3Zn3As4 tetrahedra, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent Pr(1)Ag3As6 octahedra, edges with six equivalent As(1)Pr3Zn3Ag pentagonal bipyramids, edges with six equivalent As(2)Pr3ZnAg3 pentagonal bipyramids,  a faceface with one Zn(1)Ag3As4 tetrahedra, and faces with three equivalent Ag(1)Pr3Zn3As4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the CIF file [CIF]
data_PrZnAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.350
_cell_length_b   4.350
_cell_length_c   6.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.474
_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
  Pr  Pr0  1  0.000  0.000  0.986  1.0
  Zn  Zn1  1  0.667  0.333  0.374  1.0
  Ag  Ag2  1  0.333  0.667  0.638  1.0
  As  As3  1  0.333  0.667  0.249  1.0
  As  As4  1  0.667  0.333  0.753  1.0
[/CIF]
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