The structure described by PrFe4B4 crystallizes in the tetragonal P4_2/n space group. Pr(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1) and twelve equivalent B(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and five equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to three equivalent Pr(1), five equivalent Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr(FeB)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.094
_cell_length_b   7.094
_cell_length_c   3.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.566
_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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.133  0.389  0.894  1.0
  Fe  Fe3  1  0.867  0.611  0.894  1.0
  Fe  Fe4  1  0.889  0.367  0.394  1.0
  Fe  Fe5  1  0.111  0.633  0.394  1.0
  Fe  Fe6  1  0.367  0.111  0.606  1.0
  Fe  Fe7  1  0.633  0.889  0.606  1.0
  Fe  Fe8  1  0.611  0.133  0.106  1.0
  Fe  Fe9  1  0.389  0.867  0.106  1.0
  B  B10  1  0.665  0.797  0.105  1.0
  B  B11  1  0.335  0.203  0.105  1.0
  B  B12  1  0.297  0.835  0.605  1.0
  B  B13  1  0.703  0.165  0.605  1.0
  B  B14  1  0.835  0.703  0.395  1.0
  B  B15  1  0.165  0.297  0.395  1.0
  B  B16  1  0.203  0.665  0.895  1.0
  B  B17  1  0.797  0.335  0.895  1.0
[/CIF]
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The structure described by PrFe4B4 crystallizes in the tetragonal P4_2/n space group. Pr(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1) and twelve equivalent B(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and five equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to three equivalent Pr(1), five equivalent Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr(FeB)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.094
_cell_length_b   7.094
_cell_length_c   3.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.566
_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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.133  0.389  0.894  1.0
  Fe  Fe3  1  0.867  0.611  0.894  1.0
  Fe  Fe4  1  0.889  0.367  0.394  1.0
  Fe  Fe5  1  0.111  0.633  0.394  1.0
  Fe  Fe6  1  0.367  0.111  0.606  1.0
  Fe  Fe7  1  0.633  0.889  0.606  1.0
  Fe  Fe8  1  0.611  0.133  0.106  1.0
  Fe  Fe9  1  0.389  0.867  0.106  1.0
  B  B10  1  0.665  0.797  0.105  1.0
  B  B11  1  0.335  0.203  0.105  1.0
  B  B12  1  0.297  0.835  0.605  1.0
  B  B13  1  0.703  0.165  0.605  1.0
  B  B14  1  0.835  0.703  0.395  1.0
  B  B15  1  0.165  0.297  0.395  1.0
  B  B16  1  0.203  0.665  0.895  1.0
  B  B17  1  0.797  0.335  0.895  1.0
[/CIF]
.