The compound described by Pr3(NiGa)2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent Ni(1), two equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to four equivalent Ni(1), two equivalent Ga(2), and three equivalent Ga(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Pr(2), four equivalent Pr(1), one Ni(1), one Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Pr(2), four equivalent Pr(1), and two equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Pr(2), six equivalent Pr(1), and four equivalent Ni(1) atoms to form a mixture of distorted face, corner, and edge-sharing GaPr8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3(GaNi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   8.313
_cell_length_c   12.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.394
_cell_formula_units_Z   4
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  0.147  0.894  0.599  1.0
  Pr  Pr1  1  0.853  0.106  0.099  1.0
  Pr  Pr2  1  0.147  0.606  0.401  1.0
  Pr  Pr3  1  0.853  0.394  0.901  1.0
  Pr  Pr4  1  0.853  0.106  0.401  1.0
  Pr  Pr5  1  0.147  0.894  0.901  1.0
  Pr  Pr6  1  0.853  0.394  0.599  1.0
  Pr  Pr7  1  0.147  0.606  0.099  1.0
  Pr  Pr8  1  0.354  0.245  0.750  1.0
  Pr  Pr9  1  0.646  0.755  0.250  1.0
  Pr  Pr10  1  0.354  0.255  0.250  1.0
  Pr  Pr11  1  0.646  0.745  0.750  1.0
  Ga  Ga12  1  0.842  0.100  0.750  1.0
  Ga  Ga13  1  0.158  0.900  0.250  1.0
  Ga  Ga14  1  0.842  0.400  0.250  1.0
  Ga  Ga15  1  0.158  0.600  0.750  1.0
  Ga  Ga16  1  0.364  0.250  0.500  1.0
  Ga  Ga17  1  0.636  0.750  0.000  1.0
  Ga  Ga18  1  0.636  0.750  0.500  1.0
  Ga  Ga19  1  0.364  0.250  0.000  1.0
  Ni  Ni20  1  0.618  0.031  0.588  1.0
  Ni  Ni21  1  0.382  0.969  0.088  1.0
  Ni  Ni22  1  0.618  0.469  0.412  1.0
  Ni  Ni23  1  0.382  0.531  0.912  1.0
  Ni  Ni24  1  0.382  0.969  0.412  1.0
  Ni  Ni25  1  0.618  0.031  0.912  1.0
  Ni  Ni26  1  0.382  0.531  0.588  1.0
  Ni  Ni27  1  0.618  0.469  0.088  1.0
[/CIF]
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The compound described by Pr3(NiGa)2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to four equivalent Ni(1), two equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to four equivalent Ni(1), two equivalent Ga(2), and three equivalent Ga(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Pr(2), four equivalent Pr(1), one Ni(1), one Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Pr(2), four equivalent Pr(1), and two equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Pr(2), six equivalent Pr(1), and four equivalent Ni(1) atoms to form a mixture of distorted face, corner, and edge-sharing GaPr8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3(GaNi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   8.313
_cell_length_c   12.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.394
_cell_formula_units_Z   4
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  0.147  0.894  0.599  1.0
  Pr  Pr1  1  0.853  0.106  0.099  1.0
  Pr  Pr2  1  0.147  0.606  0.401  1.0
  Pr  Pr3  1  0.853  0.394  0.901  1.0
  Pr  Pr4  1  0.853  0.106  0.401  1.0
  Pr  Pr5  1  0.147  0.894  0.901  1.0
  Pr  Pr6  1  0.853  0.394  0.599  1.0
  Pr  Pr7  1  0.147  0.606  0.099  1.0
  Pr  Pr8  1  0.354  0.245  0.750  1.0
  Pr  Pr9  1  0.646  0.755  0.250  1.0
  Pr  Pr10  1  0.354  0.255  0.250  1.0
  Pr  Pr11  1  0.646  0.745  0.750  1.0
  Ga  Ga12  1  0.842  0.100  0.750  1.0
  Ga  Ga13  1  0.158  0.900  0.250  1.0
  Ga  Ga14  1  0.842  0.400  0.250  1.0
  Ga  Ga15  1  0.158  0.600  0.750  1.0
  Ga  Ga16  1  0.364  0.250  0.500  1.0
  Ga  Ga17  1  0.636  0.750  0.000  1.0
  Ga  Ga18  1  0.636  0.750  0.500  1.0
  Ga  Ga19  1  0.364  0.250  0.000  1.0
  Ni  Ni20  1  0.618  0.031  0.588  1.0
  Ni  Ni21  1  0.382  0.969  0.088  1.0
  Ni  Ni22  1  0.618  0.469  0.412  1.0
  Ni  Ni23  1  0.382  0.531  0.912  1.0
  Ni  Ni24  1  0.382  0.969  0.412  1.0
  Ni  Ni25  1  0.618  0.031  0.912  1.0
  Ni  Ni26  1  0.382  0.531  0.588  1.0
  Ni  Ni27  1  0.618  0.469  0.088  1.0
[/CIF]
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