The material described by Pr2NiGa7 crystallizes in the tetragonal P4mm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(5) atoms. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to four equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Ni(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1), one Ga(5), and four equivalent Ga(1) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Ni(1), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Ga(3), two equivalent Ga(5), and four equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing GaPr4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent Pr(2), one Ga(4), and four equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Pr(2), one Ga(3), and four equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to four equivalent Pr(1), one Ni(1), and four equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Ga7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.283
_cell_length_b   4.283
_cell_length_c   10.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.242
_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  0.997  1.0
  Pr  Pr1  1  0.500  0.500  0.482  1.0
  Ga  Ga2  1  0.000  0.500  0.233  1.0
  Ga  Ga3  1  0.500  0.000  0.755  1.0
  Ga  Ga4  1  0.500  0.000  0.233  1.0
  Ga  Ga5  1  0.000  0.500  0.755  1.0
  Ga  Ga6  1  0.000  0.000  0.619  1.0
  Ga  Ga7  1  0.000  0.000  0.382  1.0
  Ga  Ga8  1  0.500  0.500  0.909  1.0
  Ni  Ni9  1  0.500  0.500  0.134  1.0
[/CIF]
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The material described by Pr2NiGa7 crystallizes in the tetragonal P4mm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(5) atoms. In the second Pr site, Pr(2) is bonded in a 16-coordinate geometry to four equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Ni(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1), one Ga(5), and four equivalent Ga(1) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), two equivalent Ni(1), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), two equivalent Ga(3), two equivalent Ga(5), and four equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing GaPr4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent Pr(2), one Ga(4), and four equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Pr(2), one Ga(3), and four equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to four equivalent Pr(1), one Ni(1), and four equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Ga7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.283
_cell_length_b   4.283
_cell_length_c   10.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.242
_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  0.997  1.0
  Pr  Pr1  1  0.500  0.500  0.482  1.0
  Ga  Ga2  1  0.000  0.500  0.233  1.0
  Ga  Ga3  1  0.500  0.000  0.755  1.0
  Ga  Ga4  1  0.500  0.000  0.233  1.0
  Ga  Ga5  1  0.000  0.500  0.755  1.0
  Ga  Ga6  1  0.000  0.000  0.619  1.0
  Ga  Ga7  1  0.000  0.000  0.382  1.0
  Ga  Ga8  1  0.500  0.500  0.909  1.0
  Ni  Ni9  1  0.500  0.500  0.134  1.0
[/CIF]
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