The material described by PrFe4P12 crystallizes in the cubic Im-3 space group. Pr(1) is bonded to twelve equivalent P(1) atoms to form PrP12 cuboctahedra that share faces with eight equivalent Fe(1)P6 octahedra. Fe(1) is bonded to six equivalent P(1) atoms to form FeP6 octahedra that share corners with six equivalent Fe(1)P6 octahedra and faces with two equivalent Pr(1)P12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. P(1) is bonded in a 5-coordinate geometry to one Pr(1), two equivalent Fe(1), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Pr(FeP3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.743
_cell_length_b   6.743
_cell_length_c   6.743
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   236.032
_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  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  P  P5  1  0.495  0.849  0.646  1.0
  P  P6  1  0.203  0.849  0.354  1.0
  P  P7  1  0.797  0.151  0.646  1.0
  P  P8  1  0.151  0.354  0.505  1.0
  P  P9  1  0.354  0.505  0.151  1.0
  P  P10  1  0.505  0.151  0.354  1.0
  P  P11  1  0.151  0.646  0.797  1.0
  P  P12  1  0.354  0.203  0.849  1.0
  P  P13  1  0.849  0.646  0.495  1.0
  P  P14  1  0.646  0.797  0.151  1.0
  P  P15  1  0.849  0.354  0.203  1.0
  P  P16  1  0.646  0.495  0.849  1.0
[/CIF]
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The material described by PrFe4P12 crystallizes in the cubic Im-3 space group. Pr(1) is bonded to twelve equivalent P(1) atoms to form PrP12 cuboctahedra that share faces with eight equivalent Fe(1)P6 octahedra. Fe(1) is bonded to six equivalent P(1) atoms to form FeP6 octahedra that share corners with six equivalent Fe(1)P6 octahedra and faces with two equivalent Pr(1)P12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. P(1) is bonded in a 5-coordinate geometry to one Pr(1), two equivalent Fe(1), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Pr(FeP3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.743
_cell_length_b   6.743
_cell_length_c   6.743
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   236.032
_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  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  P  P5  1  0.495  0.849  0.646  1.0
  P  P6  1  0.203  0.849  0.354  1.0
  P  P7  1  0.797  0.151  0.646  1.0
  P  P8  1  0.151  0.354  0.505  1.0
  P  P9  1  0.354  0.505  0.151  1.0
  P  P10  1  0.505  0.151  0.354  1.0
  P  P11  1  0.151  0.646  0.797  1.0
  P  P12  1  0.354  0.203  0.849  1.0
  P  P13  1  0.849  0.646  0.495  1.0
  P  P14  1  0.646  0.797  0.151  1.0
  P  P15  1  0.849  0.354  0.203  1.0
  P  P16  1  0.646  0.495  0.849  1.0
[/CIF]
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