The structure described by WFe22B6 crystallizes in the cubic F-43m space group. W(1) is bonded in a distorted tetrahedral geometry to four equivalent Fe(4) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a cuboctahedral geometry to twelve equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and two equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a distorted trigonal non-coplanar geometry to one Fe(5) and three equivalent B(1) atoms. In the fourth Fe site, Fe(4) is bonded to one W(1) and three equivalent B(1) atoms to form corner-sharing FeB3W tetrahedra. In the fifth Fe site, Fe(5) is bonded in a distorted tetrahedral geometry to four equivalent Fe(3) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Fe22B6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.503
_cell_length_b   7.503
_cell_length_c   7.503
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   298.707
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.999  1.000  0.658  1.0
  Fe  Fe2  1  0.342  0.342  0.658  1.0
  Fe  Fe3  1  0.342  1.000  0.658  1.0
  Fe  Fe4  1  0.001  0.342  1.000  1.0
  Fe  Fe5  1  0.658  1.000  1.000  1.0
  Fe  Fe6  1  0.658  1.000  0.342  1.0
  Fe  Fe7  1  0.001  0.658  1.000  1.0
  Fe  Fe8  1  0.658  0.658  0.342  1.0
  Fe  Fe9  1  0.658  0.658  1.000  1.0
  Fe  Fe10  1  0.999  1.000  0.342  1.0
  Fe  Fe11  1  0.342  1.000  1.000  1.0
  Fe  Fe12  1  0.342  0.342  1.000  1.0
  Fe  Fe13  1  0.761  0.380  0.859  1.0
  Fe  Fe14  1  0.239  0.380  0.380  1.0
  Fe  Fe15  1  0.239  0.859  0.380  1.0
  Fe  Fe16  1  0.761  0.380  0.380  1.0
  Fe  Fe17  1  0.234  0.617  0.149  1.0
  Fe  Fe18  1  0.766  0.617  0.617  1.0
  Fe  Fe19  1  0.766  0.149  0.617  1.0
  Fe  Fe20  1  0.234  0.617  0.617  1.0
  Fe  Fe21  1  0.500  0.250  0.250  1.0
  B  B22  1  0.552  0.276  0.724  1.0
  B  B23  1  0.000  0.724  0.724  1.0
  B  B24  1  0.000  0.276  0.724  1.0
  B  B25  1  0.448  0.724  0.276  1.0
  B  B26  1  0.000  0.276  0.276  1.0
  B  B27  1  0.000  0.724  0.276  1.0
  W  W28  1  0.500  0.750  0.750  1.0
[/CIF]
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The structure described by WFe22B6 crystallizes in the cubic F-43m space group. W(1) is bonded in a distorted tetrahedral geometry to four equivalent Fe(4) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a cuboctahedral geometry to twelve equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and two equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a distorted trigonal non-coplanar geometry to one Fe(5) and three equivalent B(1) atoms. In the fourth Fe site, Fe(4) is bonded to one W(1) and three equivalent B(1) atoms to form corner-sharing FeB3W tetrahedra. In the fifth Fe site, Fe(5) is bonded in a distorted tetrahedral geometry to four equivalent Fe(3) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Fe22B6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.503
_cell_length_b   7.503
_cell_length_c   7.503
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   298.707
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.999  1.000  0.658  1.0
  Fe  Fe2  1  0.342  0.342  0.658  1.0
  Fe  Fe3  1  0.342  1.000  0.658  1.0
  Fe  Fe4  1  0.001  0.342  1.000  1.0
  Fe  Fe5  1  0.658  1.000  1.000  1.0
  Fe  Fe6  1  0.658  1.000  0.342  1.0
  Fe  Fe7  1  0.001  0.658  1.000  1.0
  Fe  Fe8  1  0.658  0.658  0.342  1.0
  Fe  Fe9  1  0.658  0.658  1.000  1.0
  Fe  Fe10  1  0.999  1.000  0.342  1.0
  Fe  Fe11  1  0.342  1.000  1.000  1.0
  Fe  Fe12  1  0.342  0.342  1.000  1.0
  Fe  Fe13  1  0.761  0.380  0.859  1.0
  Fe  Fe14  1  0.239  0.380  0.380  1.0
  Fe  Fe15  1  0.239  0.859  0.380  1.0
  Fe  Fe16  1  0.761  0.380  0.380  1.0
  Fe  Fe17  1  0.234  0.617  0.149  1.0
  Fe  Fe18  1  0.766  0.617  0.617  1.0
  Fe  Fe19  1  0.766  0.149  0.617  1.0
  Fe  Fe20  1  0.234  0.617  0.617  1.0
  Fe  Fe21  1  0.500  0.250  0.250  1.0
  B  B22  1  0.552  0.276  0.724  1.0
  B  B23  1  0.000  0.724  0.724  1.0
  B  B24  1  0.000  0.276  0.724  1.0
  B  B25  1  0.448  0.724  0.276  1.0
  B  B26  1  0.000  0.276  0.276  1.0
  B  B27  1  0.000  0.724  0.276  1.0
  W  W28  1  0.500  0.750  0.750  1.0
[/CIF]
.