The material described by PrAgZnP2 crystallizes in the trigonal P3m1 space group. Pr(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted PrP6 octahedra that share corners with six equivalent Ag(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Pr(1)P6 octahedra, edges with three equivalent Ag(1)P4 tetrahedra, and edges with three equivalent Zn(1)P4 tetrahedra. Ag(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted AgP4 tetrahedra that share corners with six equivalent Pr(1)P6 octahedra, corners with six equivalent Ag(1)P4 tetrahedra, edges with three equivalent Pr(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-53°. Zn(1) is bonded to one P(2) and three equivalent P(1) atoms to form distorted ZnP4 tetrahedra that share corners with six equivalent Pr(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Pr(1)P6 octahedra, and edges with three equivalent Ag(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Pr(1), one Ag(1), and three equivalent Zn(1) atoms to form distorted PPr3Zn3Ag pentagonal bipyramids that share corners with three equivalent P(2)Pr3ZnAg3 pentagonal bipyramids, edges with six equivalent P(1)Pr3Zn3Ag pentagonal bipyramids, and edges with six equivalent P(2)Pr3ZnAg3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Pr(1), three equivalent Ag(1), and one Zn(1) atom to form distorted PPr3ZnAg3 pentagonal bipyramids that share corners with three equivalent P(1)Pr3Zn3Ag pentagonal bipyramids, edges with six equivalent P(1)Pr3Zn3Ag pentagonal bipyramids, and edges with six equivalent P(2)Pr3ZnAg3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZnAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   4.201
_cell_length_c   6.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   104.501
_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  0.637  1.0
  P  P3  1  0.333  0.667  0.253  1.0
  P  P4  1  0.667  0.333  0.750  1.0
[/CIF]
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The material described by PrAgZnP2 crystallizes in the trigonal P3m1 space group. Pr(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted PrP6 octahedra that share corners with six equivalent Ag(1)P4 tetrahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with six equivalent Pr(1)P6 octahedra, edges with three equivalent Ag(1)P4 tetrahedra, and edges with three equivalent Zn(1)P4 tetrahedra. Ag(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted AgP4 tetrahedra that share corners with six equivalent Pr(1)P6 octahedra, corners with six equivalent Ag(1)P4 tetrahedra, edges with three equivalent Pr(1)P6 octahedra, and edges with three equivalent Zn(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-53°. Zn(1) is bonded to one P(2) and three equivalent P(1) atoms to form distorted ZnP4 tetrahedra that share corners with six equivalent Pr(1)P6 octahedra, corners with six equivalent Zn(1)P4 tetrahedra, edges with three equivalent Pr(1)P6 octahedra, and edges with three equivalent Ag(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Pr(1), one Ag(1), and three equivalent Zn(1) atoms to form distorted PPr3Zn3Ag pentagonal bipyramids that share corners with three equivalent P(2)Pr3ZnAg3 pentagonal bipyramids, edges with six equivalent P(1)Pr3Zn3Ag pentagonal bipyramids, and edges with six equivalent P(2)Pr3ZnAg3 pentagonal bipyramids. In the second P site, P(2) is bonded to three equivalent Pr(1), three equivalent Ag(1), and one Zn(1) atom to form distorted PPr3ZnAg3 pentagonal bipyramids that share corners with three equivalent P(1)Pr3Zn3Ag pentagonal bipyramids, edges with six equivalent P(1)Pr3Zn3Ag pentagonal bipyramids, and edges with six equivalent P(2)Pr3ZnAg3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZnAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   4.201
_cell_length_c   6.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   104.501
_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  0.637  1.0
  P  P3  1  0.333  0.667  0.253  1.0
  P  P4  1  0.667  0.333  0.750  1.0
[/CIF]
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