The material described by CeAgZnAs2 crystallizes in the trigonal P3m1 space group. Ce(1) is bonded to three equivalent Ag(1), three equivalent As(1), and three equivalent As(2) atoms to form CeAg3As6 octahedra that share corners with three equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, corners with three equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, edges with three equivalent Zn(1)Ag3As4 tetrahedra, faces with six equivalent Ce(1)Ag3As6 octahedra, and faces with three equivalent Zn(1)Ag3As4 tetrahedra. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Ce(1), three equivalent Zn(1), one As(1), and three equivalent As(2) atoms. 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 Ce(1)Ag3As6 octahedra, corners with three equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, corners with six equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, edges with three equivalent Ce(1)Ag3As6 octahedra, edges with six equivalent Zn(1)Ag3As4 tetrahedra, faces with three equivalent Ce(1)Ag3As6 octahedra, and  a faceface with one As(2)Ce3ZnAg3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-15°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Ce(1), one Ag(1), and three equivalent Zn(1) atoms to form distorted AsCe3Zn3Ag pentagonal bipyramids that share corners with three equivalent Ce(1)Ag3As6 octahedra, corners with three equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, corners with three equivalent Zn(1)Ag3As4 tetrahedra, edges with six equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, and edges with six equivalent As(2)Ce3ZnAg3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. In the second As site, As(2) is bonded to three equivalent Ce(1), three equivalent Ag(1), and one Zn(1) atom to form distorted AsCe3ZnAg3 pentagonal bipyramids that share corners with three equivalent Ce(1)Ag3As6 octahedra, corners with three equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent Ce(1)Ag3As6 octahedra, edges with six equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, edges with six equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, and  a faceface with one Zn(1)Ag3As4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeZnAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.330
_cell_length_b   4.330
_cell_length_c   6.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.280
_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
  Ce  Ce0  1  0.333  0.667  0.992  1.0
  Zn  Zn1  1  0.000  0.000  0.372  1.0
  Ag  Ag2  1  0.667  0.333  0.637  1.0
  As  As3  1  0.667  0.333  0.243  1.0
  As  As4  1  0.000  0.000  0.756  1.0
[/CIF]
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The material described by CeAgZnAs2 crystallizes in the trigonal P3m1 space group. Ce(1) is bonded to three equivalent Ag(1), three equivalent As(1), and three equivalent As(2) atoms to form CeAg3As6 octahedra that share corners with three equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, corners with three equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, edges with three equivalent Zn(1)Ag3As4 tetrahedra, faces with six equivalent Ce(1)Ag3As6 octahedra, and faces with three equivalent Zn(1)Ag3As4 tetrahedra. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Ce(1), three equivalent Zn(1), one As(1), and three equivalent As(2) atoms. 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 Ce(1)Ag3As6 octahedra, corners with three equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, corners with six equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, edges with three equivalent Ce(1)Ag3As6 octahedra, edges with six equivalent Zn(1)Ag3As4 tetrahedra, faces with three equivalent Ce(1)Ag3As6 octahedra, and  a faceface with one As(2)Ce3ZnAg3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-15°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Ce(1), one Ag(1), and three equivalent Zn(1) atoms to form distorted AsCe3Zn3Ag pentagonal bipyramids that share corners with three equivalent Ce(1)Ag3As6 octahedra, corners with three equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, corners with three equivalent Zn(1)Ag3As4 tetrahedra, edges with six equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, and edges with six equivalent As(2)Ce3ZnAg3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. In the second As site, As(2) is bonded to three equivalent Ce(1), three equivalent Ag(1), and one Zn(1) atom to form distorted AsCe3ZnAg3 pentagonal bipyramids that share corners with three equivalent Ce(1)Ag3As6 octahedra, corners with three equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, corners with six equivalent Zn(1)Ag3As4 tetrahedra, edges with three equivalent Ce(1)Ag3As6 octahedra, edges with six equivalent As(1)Ce3Zn3Ag pentagonal bipyramids, edges with six equivalent As(2)Ce3ZnAg3 pentagonal bipyramids, and  a faceface with one Zn(1)Ag3As4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeZnAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.330
_cell_length_b   4.330
_cell_length_c   6.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.280
_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
  Ce  Ce0  1  0.333  0.667  0.992  1.0
  Zn  Zn1  1  0.000  0.000  0.372  1.0
  Ag  Ag2  1  0.667  0.333  0.637  1.0
  As  As3  1  0.667  0.333  0.243  1.0
  As  As4  1  0.000  0.000  0.756  1.0
[/CIF]
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