The material described by Pr2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(4), six equivalent Ni(1), and six equivalent As(2) atoms. In the second Pr site, Pr(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), six equivalent Ni(2), and six equivalent As(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Pr(2), two equivalent Pr(1), two equivalent As(2), and two equivalent As(3) atoms to form distorted NiPr3As4 tetrahedra that share corners with two equivalent Ni(4)PrAs4 tetrahedra, corners with six equivalent Ni(1)Pr3As4 tetrahedra, edges with two equivalent Ni(1)Pr3As4 tetrahedra, edges with two equivalent Ni(4)PrAs4 tetrahedra, faces with two equivalent Ni(1)Pr3As4 tetrahedra, and faces with two equivalent Ni(4)PrAs4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), two equivalent As(2), and two equivalent As(3) atoms. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. In the fourth Ni site, Ni(4) is bonded to one Pr(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiPrAs4 tetrahedra that share corners with two equivalent Ni(1)Pr3As4 tetrahedra, corners with six equivalent Ni(4)PrAs4 tetrahedra, edges with two equivalent Ni(1)Pr3As4 tetrahedra, and faces with two equivalent Ni(1)Pr3As4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to three equivalent Ni(4) and six equivalent Ni(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Pr(2), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_Pr2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.339
_cell_length_b   9.339
_cell_length_c   3.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   293.928
_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  0.667  0.333  0.000  1.0
  Pr  Pr1  1  1.000  0.000  0.500  1.0
  Ni  Ni2  1  0.706  0.089  0.500  1.0
  Ni  Ni3  1  0.911  0.618  0.500  1.0
  Ni  Ni4  1  0.383  0.294  0.500  1.0
  Ni  Ni5  1  0.766  0.725  1.000  1.0
  Ni  Ni6  1  0.275  0.042  1.000  1.0
  Ni  Ni7  1  0.958  0.233  1.000  1.0
  Ni  Ni8  1  0.536  0.762  0.500  1.0
  Ni  Ni9  1  0.238  0.775  0.500  1.0
  Ni  Ni10  1  0.225  0.464  0.500  1.0
  Ni  Ni11  1  0.481  0.943  0.000  1.0
  Ni  Ni12  1  0.057  0.537  0.000  1.0
  Ni  Ni13  1  0.463  0.519  0.000  1.0
  As  As14  1  0.333  0.667  1.000  1.0
  As  As15  1  0.433  0.066  0.500  1.0
  As  As16  1  0.934  0.367  0.500  1.0
  As  As17  1  0.633  0.567  0.500  1.0
  As  As18  1  0.734  0.960  1.000  1.0
  As  As19  1  0.040  0.774  0.000  1.0
  As  As20  1  0.226  0.266  1.000  1.0
[/CIF]
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The material described by Pr2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(4), six equivalent Ni(1), and six equivalent As(2) atoms. In the second Pr site, Pr(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), six equivalent Ni(2), and six equivalent As(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Pr(2), two equivalent Pr(1), two equivalent As(2), and two equivalent As(3) atoms to form distorted NiPr3As4 tetrahedra that share corners with two equivalent Ni(4)PrAs4 tetrahedra, corners with six equivalent Ni(1)Pr3As4 tetrahedra, edges with two equivalent Ni(1)Pr3As4 tetrahedra, edges with two equivalent Ni(4)PrAs4 tetrahedra, faces with two equivalent Ni(1)Pr3As4 tetrahedra, and faces with two equivalent Ni(4)PrAs4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Pr(1), two equivalent Pr(2), two equivalent As(2), and two equivalent As(3) atoms. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. In the fourth Ni site, Ni(4) is bonded to one Pr(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiPrAs4 tetrahedra that share corners with two equivalent Ni(1)Pr3As4 tetrahedra, corners with six equivalent Ni(4)PrAs4 tetrahedra, edges with two equivalent Ni(1)Pr3As4 tetrahedra, and faces with two equivalent Ni(1)Pr3As4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to three equivalent Ni(4) and six equivalent Ni(3) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Pr(2), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_Pr2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.339
_cell_length_b   9.339
_cell_length_c   3.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   293.928
_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  0.667  0.333  0.000  1.0
  Pr  Pr1  1  1.000  0.000  0.500  1.0
  Ni  Ni2  1  0.706  0.089  0.500  1.0
  Ni  Ni3  1  0.911  0.618  0.500  1.0
  Ni  Ni4  1  0.383  0.294  0.500  1.0
  Ni  Ni5  1  0.766  0.725  1.000  1.0
  Ni  Ni6  1  0.275  0.042  1.000  1.0
  Ni  Ni7  1  0.958  0.233  1.000  1.0
  Ni  Ni8  1  0.536  0.762  0.500  1.0
  Ni  Ni9  1  0.238  0.775  0.500  1.0
  Ni  Ni10  1  0.225  0.464  0.500  1.0
  Ni  Ni11  1  0.481  0.943  0.000  1.0
  Ni  Ni12  1  0.057  0.537  0.000  1.0
  Ni  Ni13  1  0.463  0.519  0.000  1.0
  As  As14  1  0.333  0.667  1.000  1.0
  As  As15  1  0.433  0.066  0.500  1.0
  As  As16  1  0.934  0.367  0.500  1.0
  As  As17  1  0.633  0.567  0.500  1.0
  As  As18  1  0.734  0.960  1.000  1.0
  As  As19  1  0.040  0.774  0.000  1.0
  As  As20  1  0.226  0.266  1.000  1.0
[/CIF]
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