The compound described by ZrReSi crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to six equivalent Re(1), one Si(2), and four equivalent Si(1) atoms. Re(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Re(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_ZrReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.975
_cell_length_b   6.975
_cell_length_c   3.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.286
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.404  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.404  0.500  1.0
  Zr  Zr2  1  0.596  0.596  0.500  1.0
  Re  Re3  1  0.746  0.000  0.000  1.0
  Re  Re4  1  0.000  0.746  0.000  1.0
  Re  Re5  1  0.254  0.254  0.000  1.0
  Si  Si6  1  0.333  0.667  0.000  1.0
  Si  Si7  1  0.667  0.333  0.000  1.0
  Si  Si8  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by ZrReSi crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to six equivalent Re(1), one Si(2), and four equivalent Si(1) atoms. Re(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Re(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_ZrReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.975
_cell_length_b   6.975
_cell_length_c   3.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.286
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.404  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.404  0.500  1.0
  Zr  Zr2  1  0.596  0.596  0.500  1.0
  Re  Re3  1  0.746  0.000  0.000  1.0
  Re  Re4  1  0.000  0.746  0.000  1.0
  Re  Re5  1  0.254  0.254  0.000  1.0
  Si  Si6  1  0.333  0.667  0.000  1.0
  Si  Si7  1  0.667  0.333  0.000  1.0
  Si  Si8  1  0.000  0.000  0.500  1.0
[/CIF]
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