The material structure described by Pr(ZnAs)3 crystallizes in the monoclinic Pm space group. Pr(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form PrAs6 octahedra that share corners with three equivalent Zn(1)As4 tetrahedra, corners with three equivalent Zn(2)As4 tetrahedra, edges with six equivalent Pr(1)As6 octahedra, edges with three equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Zn(2)As4 tetrahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one As(4) and three equivalent As(2) atoms to form ZnAs4 tetrahedra that share corners with three equivalent Pr(1)As6 octahedra, corners with seven equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Pr(1)As6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second Zn site, Zn(2) is bonded to one As(3) and three equivalent As(1) atoms to form ZnAs4 tetrahedra that share corners with three equivalent Pr(1)As6 octahedra, corners with seven equivalent Zn(2)As4 tetrahedra, and edges with three equivalent Pr(1)As6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Zn site, Zn(3) is bonded in a trigonal planar geometry to three equivalent As(3) atoms. In the fourth Zn site, Zn(4) is bonded in a trigonal planar geometry to three equivalent As(4) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Pr(1) and three equivalent Zn(2) atoms to form distorted AsPr3Zn3 octahedra that share corners with three equivalent As(2)Pr3Zn3 octahedra, corners with three equivalent As(3)Zn5 trigonal bipyramids, edges with three equivalent As(2)Pr3Zn3 octahedra, and edges with six equivalent As(1)Pr3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second As site, As(2) is bonded to three equivalent Pr(1) and three equivalent Zn(1) atoms to form distorted AsPr3Zn3 octahedra that share corners with three equivalent As(1)Pr3Zn3 octahedra, corners with three equivalent As(4)Zn5 trigonal bipyramids, edges with three equivalent As(1)Pr3Zn3 octahedra, and edges with six equivalent As(2)Pr3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the third As site, As(3) is bonded to two equivalent Zn(2) and three equivalent Zn(3) atoms to form distorted AsZn5 trigonal bipyramids that share corners with six equivalent As(1)Pr3Zn3 octahedra and corners with six equivalent As(3)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-79°. In the fourth As site, As(4) is bonded to two equivalent Zn(1) and three equivalent Zn(4) atoms to form distorted AsZn5 trigonal bipyramids that share corners with six equivalent As(2)Pr3Zn3 octahedra and corners with six equivalent As(4)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-77°. is represented by the CIF file [CIF]
data_Pr(ZnAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.160
_cell_length_b   4.174
_cell_length_c   20.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.884
_symmetry_Int_Tables_number   1
_cell_volume   308.834
_cell_formula_units_Z   2
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  0.015  0.002  0.500  1.0
  Pr  Pr1  1  0.015  0.002  1.000  1.0
  Zn  Zn2  1  0.689  0.337  0.131  1.0
  Zn  Zn3  1  0.355  0.668  0.869  1.0
  Zn  Zn4  1  0.355  0.668  0.631  1.0
  Zn  Zn5  1  0.689  0.337  0.369  1.0
  Zn  Zn6  1  0.598  0.386  0.750  1.0
  Zn  Zn7  1  0.214  0.601  0.250  1.0
  As  As8  1  0.685  0.335  0.589  1.0
  As  As9  1  0.352  0.669  0.411  1.0
  As  As10  1  0.352  0.669  0.089  1.0
  As  As11  1  0.685  0.335  0.911  1.0
  As  As12  1  0.261  0.725  0.750  1.0
  As  As13  1  0.538  0.262  0.250  1.0
[/CIF]
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The material structure described by Pr(ZnAs)3 crystallizes in the monoclinic Pm space group. Pr(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form PrAs6 octahedra that share corners with three equivalent Zn(1)As4 tetrahedra, corners with three equivalent Zn(2)As4 tetrahedra, edges with six equivalent Pr(1)As6 octahedra, edges with three equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Zn(2)As4 tetrahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one As(4) and three equivalent As(2) atoms to form ZnAs4 tetrahedra that share corners with three equivalent Pr(1)As6 octahedra, corners with seven equivalent Zn(1)As4 tetrahedra, and edges with three equivalent Pr(1)As6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second Zn site, Zn(2) is bonded to one As(3) and three equivalent As(1) atoms to form ZnAs4 tetrahedra that share corners with three equivalent Pr(1)As6 octahedra, corners with seven equivalent Zn(2)As4 tetrahedra, and edges with three equivalent Pr(1)As6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Zn site, Zn(3) is bonded in a trigonal planar geometry to three equivalent As(3) atoms. In the fourth Zn site, Zn(4) is bonded in a trigonal planar geometry to three equivalent As(4) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Pr(1) and three equivalent Zn(2) atoms to form distorted AsPr3Zn3 octahedra that share corners with three equivalent As(2)Pr3Zn3 octahedra, corners with three equivalent As(3)Zn5 trigonal bipyramids, edges with three equivalent As(2)Pr3Zn3 octahedra, and edges with six equivalent As(1)Pr3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second As site, As(2) is bonded to three equivalent Pr(1) and three equivalent Zn(1) atoms to form distorted AsPr3Zn3 octahedra that share corners with three equivalent As(1)Pr3Zn3 octahedra, corners with three equivalent As(4)Zn5 trigonal bipyramids, edges with three equivalent As(1)Pr3Zn3 octahedra, and edges with six equivalent As(2)Pr3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the third As site, As(3) is bonded to two equivalent Zn(2) and three equivalent Zn(3) atoms to form distorted AsZn5 trigonal bipyramids that share corners with six equivalent As(1)Pr3Zn3 octahedra and corners with six equivalent As(3)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-79°. In the fourth As site, As(4) is bonded to two equivalent Zn(1) and three equivalent Zn(4) atoms to form distorted AsZn5 trigonal bipyramids that share corners with six equivalent As(2)Pr3Zn3 octahedra and corners with six equivalent As(4)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-77°. is represented by the CIF file [CIF]
data_Pr(ZnAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.160
_cell_length_b   4.174
_cell_length_c   20.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.884
_symmetry_Int_Tables_number   1
_cell_volume   308.834
_cell_formula_units_Z   2
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  0.015  0.002  0.500  1.0
  Pr  Pr1  1  0.015  0.002  1.000  1.0
  Zn  Zn2  1  0.689  0.337  0.131  1.0
  Zn  Zn3  1  0.355  0.668  0.869  1.0
  Zn  Zn4  1  0.355  0.668  0.631  1.0
  Zn  Zn5  1  0.689  0.337  0.369  1.0
  Zn  Zn6  1  0.598  0.386  0.750  1.0
  Zn  Zn7  1  0.214  0.601  0.250  1.0
  As  As8  1  0.685  0.335  0.589  1.0
  As  As9  1  0.352  0.669  0.411  1.0
  As  As10  1  0.352  0.669  0.089  1.0
  As  As11  1  0.685  0.335  0.911  1.0
  As  As12  1  0.261  0.725  0.750  1.0
  As  As13  1  0.538  0.262  0.250  1.0
[/CIF]
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