The crystal structure described by U6Fe16Si7 crystallizes in the cubic F-43m space group. U(1) is bonded in a 12-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Si(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to three equivalent U(1), three equivalent Fe(4), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted q6 geometry to three equivalent U(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a 13-coordinate geometry to three equivalent U(1), three equivalent Fe(2), three equivalent Fe(4), one Si(2), and three equivalent Si(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 13-coordinate geometry to three equivalent U(1), three equivalent Fe(1), three equivalent Fe(3), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a body-centered cubic geometry to four equivalent Fe(3) and four equivalent Fe(4) atoms. In the second Si site, Si(1) is bonded to four equivalent U(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of face and corner-sharing SiU4Fe8 cuboctahedra. is represented by the CIF file [CIF]
data_U6Fe16Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.215
_cell_length_b   8.215
_cell_length_c   8.215
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   391.989
_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
  U  U0  1  0.282  0.718  0.282  1.0
  U  U1  1  0.718  0.282  0.718  1.0
  U  U2  1  0.718  0.718  0.282  1.0
  U  U3  1  0.282  0.282  0.718  1.0
  U  U4  1  0.718  0.282  0.282  1.0
  U  U5  1  0.282  0.718  0.718  1.0
  Fe  Fe6  1  0.659  0.659  0.659  1.0
  Fe  Fe7  1  0.659  0.659  0.024  1.0
  Fe  Fe8  1  0.325  0.325  0.025  1.0
  Fe  Fe9  1  0.325  0.025  0.325  1.0
  Fe  Fe10  1  0.123  0.631  0.123  1.0
  Fe  Fe11  1  0.325  0.325  0.325  1.0
  Fe  Fe12  1  0.879  0.879  0.879  1.0
  Fe  Fe13  1  0.123  0.123  0.123  1.0
  Fe  Fe14  1  0.024  0.659  0.659  1.0
  Fe  Fe15  1  0.025  0.325  0.325  1.0
  Fe  Fe16  1  0.659  0.024  0.659  1.0
  Fe  Fe17  1  0.123  0.123  0.631  1.0
  Fe  Fe18  1  0.879  0.879  0.363  1.0
  Fe  Fe19  1  0.363  0.879  0.879  1.0
  Fe  Fe20  1  0.879  0.363  0.879  1.0
  Fe  Fe21  1  0.631  0.123  0.123  1.0
  Si  Si22  1  0.997  0.997  0.503  1.0
  Si  Si23  1  0.000  0.000  0.000  1.0
  Si  Si24  1  0.997  0.503  0.997  1.0
  Si  Si25  1  0.503  0.503  0.997  1.0
  Si  Si26  1  0.503  0.997  0.997  1.0
  Si  Si27  1  0.503  0.997  0.503  1.0
  Si  Si28  1  0.997  0.503  0.503  1.0
[/CIF]
.
The crystal structure described by U6Fe16Si7 crystallizes in the cubic F-43m space group. U(1) is bonded in a 12-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Si(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to three equivalent U(1), three equivalent Fe(4), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted q6 geometry to three equivalent U(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a 13-coordinate geometry to three equivalent U(1), three equivalent Fe(2), three equivalent Fe(4), one Si(2), and three equivalent Si(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 13-coordinate geometry to three equivalent U(1), three equivalent Fe(1), three equivalent Fe(3), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a body-centered cubic geometry to four equivalent Fe(3) and four equivalent Fe(4) atoms. In the second Si site, Si(1) is bonded to four equivalent U(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of face and corner-sharing SiU4Fe8 cuboctahedra. is represented by the CIF file [CIF]
data_U6Fe16Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.215
_cell_length_b   8.215
_cell_length_c   8.215
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   391.989
_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
  U  U0  1  0.282  0.718  0.282  1.0
  U  U1  1  0.718  0.282  0.718  1.0
  U  U2  1  0.718  0.718  0.282  1.0
  U  U3  1  0.282  0.282  0.718  1.0
  U  U4  1  0.718  0.282  0.282  1.0
  U  U5  1  0.282  0.718  0.718  1.0
  Fe  Fe6  1  0.659  0.659  0.659  1.0
  Fe  Fe7  1  0.659  0.659  0.024  1.0
  Fe  Fe8  1  0.325  0.325  0.025  1.0
  Fe  Fe9  1  0.325  0.025  0.325  1.0
  Fe  Fe10  1  0.123  0.631  0.123  1.0
  Fe  Fe11  1  0.325  0.325  0.325  1.0
  Fe  Fe12  1  0.879  0.879  0.879  1.0
  Fe  Fe13  1  0.123  0.123  0.123  1.0
  Fe  Fe14  1  0.024  0.659  0.659  1.0
  Fe  Fe15  1  0.025  0.325  0.325  1.0
  Fe  Fe16  1  0.659  0.024  0.659  1.0
  Fe  Fe17  1  0.123  0.123  0.631  1.0
  Fe  Fe18  1  0.879  0.879  0.363  1.0
  Fe  Fe19  1  0.363  0.879  0.879  1.0
  Fe  Fe20  1  0.879  0.363  0.879  1.0
  Fe  Fe21  1  0.631  0.123  0.123  1.0
  Si  Si22  1  0.997  0.997  0.503  1.0
  Si  Si23  1  0.000  0.000  0.000  1.0
  Si  Si24  1  0.997  0.503  0.997  1.0
  Si  Si25  1  0.503  0.503  0.997  1.0
  Si  Si26  1  0.503  0.997  0.997  1.0
  Si  Si27  1  0.503  0.997  0.503  1.0
  Si  Si28  1  0.997  0.503  0.503  1.0
[/CIF]
.