The material described by WMoRe2Si8 crystallizes in the tetragonal P4mm space group. W(1) is bonded in a distorted q6 geometry to one Si(1), one Si(6), four equivalent Si(2), and four equivalent Si(5) atoms. Mo(1) is bonded in a distorted q6 geometry to one Si(4), one Si(5), four equivalent Si(1), and four equivalent Si(8) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted q6 geometry to one Si(2), one Si(7), four equivalent Si(3), and four equivalent Si(6) atoms. In the second Re site, Re(2) is bonded in a distorted q6 geometry to one Si(3), one Si(8), four equivalent Si(4), and four equivalent Si(7) atoms. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one W(1), four equivalent Mo(1), one Si(8), and four equivalent Si(5) 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(5), and four equivalent Si(6) atoms. In the third Si site, Si(3) is bonded in a distorted q6 geometry to one Re(2), four equivalent Re(1), one Si(6), and four equivalent Si(7) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Mo(1), four equivalent Re(2), one Si(7), and four equivalent Si(8) atoms. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to four equivalent W(1), one Mo(1), one Si(2), and four equivalent Si(1) atoms. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one W(1), four equivalent Re(1), one Si(3), and four equivalent Si(2) atoms. In the seventh Si site, Si(7) is bonded in a distorted q6 geometry to one Re(1), four equivalent Re(2), one Si(4), and four equivalent Si(3) atoms. In the eighth Si site, Si(8) is bonded in a 10-coordinate geometry to four equivalent Mo(1), one Re(2), one Si(1), and four equivalent Si(4) atoms. is represented by the CIF card [CIF]
data_Re2Si8MoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.207
_cell_length_b   3.207
_cell_length_c   15.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.027
_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  0.501  1.0
  Re  Re1  1  0.500  0.500  0.748  1.0
  Si  Si2  1  0.500  0.500  0.083  1.0
  Si  Si3  1  0.000  0.000  0.333  1.0
  Si  Si4  1  0.500  0.500  0.584  1.0
  Si  Si5  1  0.000  0.000  0.835  1.0
  Si  Si6  1  0.000  0.000  0.166  1.0
  Si  Si7  1  0.500  0.500  0.415  1.0
  Si  Si8  1  0.000  0.000  0.666  1.0
  Si  Si9  1  0.500  0.500  0.917  1.0
  Mo  Mo10  1  0.000  0.000  0.998  1.0
  W  W11  1  0.500  0.500  0.252  1.0
[/CIF]
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The material described by WMoRe2Si8 crystallizes in the tetragonal P4mm space group. W(1) is bonded in a distorted q6 geometry to one Si(1), one Si(6), four equivalent Si(2), and four equivalent Si(5) atoms. Mo(1) is bonded in a distorted q6 geometry to one Si(4), one Si(5), four equivalent Si(1), and four equivalent Si(8) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted q6 geometry to one Si(2), one Si(7), four equivalent Si(3), and four equivalent Si(6) atoms. In the second Re site, Re(2) is bonded in a distorted q6 geometry to one Si(3), one Si(8), four equivalent Si(4), and four equivalent Si(7) atoms. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one W(1), four equivalent Mo(1), one Si(8), and four equivalent Si(5) 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(5), and four equivalent Si(6) atoms. In the third Si site, Si(3) is bonded in a distorted q6 geometry to one Re(2), four equivalent Re(1), one Si(6), and four equivalent Si(7) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Mo(1), four equivalent Re(2), one Si(7), and four equivalent Si(8) atoms. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to four equivalent W(1), one Mo(1), one Si(2), and four equivalent Si(1) atoms. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one W(1), four equivalent Re(1), one Si(3), and four equivalent Si(2) atoms. In the seventh Si site, Si(7) is bonded in a distorted q6 geometry to one Re(1), four equivalent Re(2), one Si(4), and four equivalent Si(3) atoms. In the eighth Si site, Si(8) is bonded in a 10-coordinate geometry to four equivalent Mo(1), one Re(2), one Si(1), and four equivalent Si(4) atoms. is represented by the CIF card [CIF]
data_Re2Si8MoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.207
_cell_length_b   3.207
_cell_length_c   15.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.027
_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  0.501  1.0
  Re  Re1  1  0.500  0.500  0.748  1.0
  Si  Si2  1  0.500  0.500  0.083  1.0
  Si  Si3  1  0.000  0.000  0.333  1.0
  Si  Si4  1  0.500  0.500  0.584  1.0
  Si  Si5  1  0.000  0.000  0.835  1.0
  Si  Si6  1  0.000  0.000  0.166  1.0
  Si  Si7  1  0.500  0.500  0.415  1.0
  Si  Si8  1  0.000  0.000  0.666  1.0
  Si  Si9  1  0.500  0.500  0.917  1.0
  Mo  Mo10  1  0.000  0.000  0.998  1.0
  W  W11  1  0.500  0.500  0.252  1.0
[/CIF]
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