The compound described by WReSi4 crystallizes in the tetragonal P4/mmm space group. W(1) is bonded in a distorted q6 geometry to two equivalent Si(1) and eight equivalent Si(2) atoms. Re(1) is bonded in a distorted q6 geometry to two equivalent Si(2) and eight equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one W(1), four equivalent Re(1), one Si(1), and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent W(1), one Re(1), one Si(2), and four equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ReSi4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.213
_cell_length_b   3.213
_cell_length_c   7.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.058
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Si  Si1  1  0.500  0.500  0.167  1.0
  Si  Si2  1  0.000  0.000  0.667  1.0
  Si  Si3  1  0.000  0.000  0.333  1.0
  Si  Si4  1  0.500  0.500  0.833  1.0
  W  W5  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by WReSi4 crystallizes in the tetragonal P4/mmm space group. W(1) is bonded in a distorted q6 geometry to two equivalent Si(1) and eight equivalent Si(2) atoms. Re(1) is bonded in a distorted q6 geometry to two equivalent Si(2) and eight equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one W(1), four equivalent Re(1), one Si(1), and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent W(1), one Re(1), one Si(2), and four equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ReSi4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.213
_cell_length_b   3.213
_cell_length_c   7.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.058
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Si  Si1  1  0.500  0.500  0.167  1.0
  Si  Si2  1  0.000  0.000  0.667  1.0
  Si  Si3  1  0.000  0.000  0.333  1.0
  Si  Si4  1  0.500  0.500  0.833  1.0
  W  W5  1  0.500  0.500  0.500  1.0
[/CIF]
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