The structure described by Pr3Zn2As6 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one Zn(1), one Zn(2), one As(1), one As(6), three equivalent As(2), and three equivalent As(3) atoms. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to three equivalent Zn(1), one As(3), one As(4), one As(5), two equivalent As(1), and three equivalent As(2) atoms. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to one As(1), one As(6), three equivalent As(4), and three equivalent As(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Pr(1), three equivalent Pr(2), one As(1), one As(6), and three equivalent As(2) atoms. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one As(1), one As(5), and one As(6) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Pr(1), one Pr(3), two equivalent Pr(2), one Zn(1), and one Zn(2) atom. In the second As site, As(2) is bonded in a 10-coordinate geometry to three equivalent Pr(1), three equivalent Pr(2), three equivalent Zn(1), and one As(3) atom. In the third As site, As(3) is bonded in a 5-coordinate geometry to one Pr(2), three equivalent Pr(1), and one As(2) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Pr(2), three equivalent Pr(3), one As(5), and two equivalent As(6) atoms. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Pr(2), three equivalent Pr(3), one Zn(2), and one As(4) atom. In the sixth As site, As(6) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Zn(1), one Zn(2), and two equivalent As(4) atoms. is represented by the CIF card [CIF]
data_Pr3(ZnAs3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   7.784
_cell_length_c   12.433
_cell_angle_alpha   74.504
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.901
_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  0.250  0.056  0.895  1.0
  Pr  Pr1  1  0.250  0.289  0.159  1.0
  Pr  Pr2  1  0.250  0.727  0.514  1.0
  Pr  Pr3  1  0.750  0.711  0.841  1.0
  Pr  Pr4  1  0.750  0.944  0.105  1.0
  Pr  Pr5  1  0.750  0.273  0.486  1.0
  Zn  Zn6  1  0.250  0.453  0.871  1.0
  Zn  Zn7  1  0.250  0.081  0.631  1.0
  Zn  Zn8  1  0.750  0.547  0.129  1.0
  Zn  Zn9  1  0.750  0.919  0.369  1.0
  As  As10  1  0.250  0.783  0.759  1.0
  As  As11  1  0.250  0.689  0.046  1.0
  As  As12  1  0.250  0.889  0.174  1.0
  As  As13  1  0.250  0.489  0.350  1.0
  As  As14  1  0.250  0.159  0.425  1.0
  As  As15  1  0.250  0.373  0.678  1.0
  As  As16  1  0.750  0.841  0.575  1.0
  As  As17  1  0.750  0.111  0.826  1.0
  As  As18  1  0.750  0.311  0.954  1.0
  As  As19  1  0.750  0.627  0.322  1.0
  As  As20  1  0.750  0.217  0.241  1.0
  As  As21  1  0.750  0.511  0.650  1.0
[/CIF]
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The structure described by Pr3Zn2As6 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one Zn(1), one Zn(2), one As(1), one As(6), three equivalent As(2), and three equivalent As(3) atoms. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to three equivalent Zn(1), one As(3), one As(4), one As(5), two equivalent As(1), and three equivalent As(2) atoms. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to one As(1), one As(6), three equivalent As(4), and three equivalent As(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Pr(1), three equivalent Pr(2), one As(1), one As(6), and three equivalent As(2) atoms. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one As(1), one As(5), and one As(6) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Pr(1), one Pr(3), two equivalent Pr(2), one Zn(1), and one Zn(2) atom. In the second As site, As(2) is bonded in a 10-coordinate geometry to three equivalent Pr(1), three equivalent Pr(2), three equivalent Zn(1), and one As(3) atom. In the third As site, As(3) is bonded in a 5-coordinate geometry to one Pr(2), three equivalent Pr(1), and one As(2) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Pr(2), three equivalent Pr(3), one As(5), and two equivalent As(6) atoms. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Pr(2), three equivalent Pr(3), one Zn(2), and one As(4) atom. In the sixth As site, As(6) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Zn(1), one Zn(2), and two equivalent As(4) atoms. is represented by the CIF card [CIF]
data_Pr3(ZnAs3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   7.784
_cell_length_c   12.433
_cell_angle_alpha   74.504
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.901
_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  0.250  0.056  0.895  1.0
  Pr  Pr1  1  0.250  0.289  0.159  1.0
  Pr  Pr2  1  0.250  0.727  0.514  1.0
  Pr  Pr3  1  0.750  0.711  0.841  1.0
  Pr  Pr4  1  0.750  0.944  0.105  1.0
  Pr  Pr5  1  0.750  0.273  0.486  1.0
  Zn  Zn6  1  0.250  0.453  0.871  1.0
  Zn  Zn7  1  0.250  0.081  0.631  1.0
  Zn  Zn8  1  0.750  0.547  0.129  1.0
  Zn  Zn9  1  0.750  0.919  0.369  1.0
  As  As10  1  0.250  0.783  0.759  1.0
  As  As11  1  0.250  0.689  0.046  1.0
  As  As12  1  0.250  0.889  0.174  1.0
  As  As13  1  0.250  0.489  0.350  1.0
  As  As14  1  0.250  0.159  0.425  1.0
  As  As15  1  0.250  0.373  0.678  1.0
  As  As16  1  0.750  0.841  0.575  1.0
  As  As17  1  0.750  0.111  0.826  1.0
  As  As18  1  0.750  0.311  0.954  1.0
  As  As19  1  0.750  0.627  0.322  1.0
  As  As20  1  0.750  0.217  0.241  1.0
  As  As21  1  0.750  0.511  0.650  1.0
[/CIF]
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