The material described by PrGa6 crystallizes in the tetragonal P4/nbm space group. Pr(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form a mixture of distorted face and edge-sharing PrGa12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Pr(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to one Pr(1), one Ga(2), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_PrGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   6.021
_cell_length_c   7.644
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.094
_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  0.750  0.250  0.000  1.0
  Pr  Pr1  1  0.250  0.750  0.000  1.0
  Ga  Ga2  1  0.750  0.750  0.161  1.0
  Ga  Ga3  1  0.250  0.250  0.161  1.0
  Ga  Ga4  1  0.250  0.250  0.839  1.0
  Ga  Ga5  1  0.750  0.750  0.839  1.0
  Ga  Ga6  1  0.040  0.960  0.345  1.0
  Ga  Ga7  1  0.540  0.040  0.345  1.0
  Ga  Ga8  1  0.960  0.460  0.345  1.0
  Ga  Ga9  1  0.460  0.540  0.345  1.0
  Ga  Ga10  1  0.960  0.040  0.655  1.0
  Ga  Ga11  1  0.460  0.960  0.655  1.0
  Ga  Ga12  1  0.040  0.540  0.655  1.0
  Ga  Ga13  1  0.540  0.460  0.655  1.0
[/CIF]
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The material described by PrGa6 crystallizes in the tetragonal P4/nbm space group. Pr(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form a mixture of distorted face and edge-sharing PrGa12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Pr(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to one Pr(1), one Ga(2), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_PrGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   6.021
_cell_length_c   7.644
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.094
_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  0.750  0.250  0.000  1.0
  Pr  Pr1  1  0.250  0.750  0.000  1.0
  Ga  Ga2  1  0.750  0.750  0.161  1.0
  Ga  Ga3  1  0.250  0.250  0.161  1.0
  Ga  Ga4  1  0.250  0.250  0.839  1.0
  Ga  Ga5  1  0.750  0.750  0.839  1.0
  Ga  Ga6  1  0.040  0.960  0.345  1.0
  Ga  Ga7  1  0.540  0.040  0.345  1.0
  Ga  Ga8  1  0.960  0.460  0.345  1.0
  Ga  Ga9  1  0.460  0.540  0.345  1.0
  Ga  Ga10  1  0.960  0.040  0.655  1.0
  Ga  Ga11  1  0.460  0.960  0.655  1.0
  Ga  Ga12  1  0.040  0.540  0.655  1.0
  Ga  Ga13  1  0.540  0.460  0.655  1.0
[/CIF]
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