The material described by SiH8(CBr)4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two si (c h2 br)4 molecules. Si(1) is bonded in a tetrahedral geometry to four equivalent C(1) atoms. C(1) is bonded to one Si(1), one H(1), one H(2), and one Br(1) atom to form distorted corner-sharing CSiH2Br tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiH8(CBr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.243
_cell_length_b   9.243
_cell_length_c   7.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.169
_cell_formula_units_Z   2
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
  Si  Si0  1  0.000  0.000  0.000  1.0
  Si  Si1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.813  0.982  0.751  1.0
  H  H3  1  0.313  0.518  0.749  1.0
  H  H4  1  0.187  0.018  0.751  1.0
  H  H5  1  0.687  0.482  0.749  1.0
  H  H6  1  0.018  0.813  0.249  1.0
  H  H7  1  0.482  0.313  0.251  1.0
  H  H8  1  0.982  0.187  0.249  1.0
  H  H9  1  0.518  0.687  0.251  1.0
  H  H10  1  0.773  0.857  0.932  1.0
  H  H11  1  0.273  0.643  0.568  1.0
  H  H12  1  0.227  0.143  0.932  1.0
  H  H13  1  0.727  0.357  0.568  1.0
  H  H14  1  0.143  0.773  0.068  1.0
  H  H15  1  0.357  0.273  0.432  1.0
  H  H16  1  0.857  0.227  0.068  1.0
  H  H17  1  0.643  0.727  0.432  1.0
  C  C18  1  0.860  0.907  0.851  1.0
  C  C19  1  0.360  0.593  0.649  1.0
  C  C20  1  0.140  0.093  0.851  1.0
  C  C21  1  0.640  0.407  0.649  1.0
  C  C22  1  0.093  0.860  0.149  1.0
  C  C23  1  0.407  0.360  0.351  1.0
  C  C24  1  0.907  0.140  0.149  1.0
  C  C25  1  0.593  0.640  0.351  1.0
  Br  Br26  1  0.943  0.748  0.705  1.0
  Br  Br27  1  0.443  0.752  0.795  1.0
  Br  Br28  1  0.057  0.252  0.705  1.0
  Br  Br29  1  0.557  0.248  0.795  1.0
  Br  Br30  1  0.252  0.943  0.295  1.0
  Br  Br31  1  0.248  0.443  0.205  1.0
  Br  Br32  1  0.748  0.057  0.295  1.0
  Br  Br33  1  0.752  0.557  0.205  1.0
[/CIF]
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The material described by SiH8(CBr)4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two si (c h2 br)4 molecules. Si(1) is bonded in a tetrahedral geometry to four equivalent C(1) atoms. C(1) is bonded to one Si(1), one H(1), one H(2), and one Br(1) atom to form distorted corner-sharing CSiH2Br tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiH8(CBr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.243
_cell_length_b   9.243
_cell_length_c   7.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.169
_cell_formula_units_Z   2
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
  Si  Si0  1  0.000  0.000  0.000  1.0
  Si  Si1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.813  0.982  0.751  1.0
  H  H3  1  0.313  0.518  0.749  1.0
  H  H4  1  0.187  0.018  0.751  1.0
  H  H5  1  0.687  0.482  0.749  1.0
  H  H6  1  0.018  0.813  0.249  1.0
  H  H7  1  0.482  0.313  0.251  1.0
  H  H8  1  0.982  0.187  0.249  1.0
  H  H9  1  0.518  0.687  0.251  1.0
  H  H10  1  0.773  0.857  0.932  1.0
  H  H11  1  0.273  0.643  0.568  1.0
  H  H12  1  0.227  0.143  0.932  1.0
  H  H13  1  0.727  0.357  0.568  1.0
  H  H14  1  0.143  0.773  0.068  1.0
  H  H15  1  0.357  0.273  0.432  1.0
  H  H16  1  0.857  0.227  0.068  1.0
  H  H17  1  0.643  0.727  0.432  1.0
  C  C18  1  0.860  0.907  0.851  1.0
  C  C19  1  0.360  0.593  0.649  1.0
  C  C20  1  0.140  0.093  0.851  1.0
  C  C21  1  0.640  0.407  0.649  1.0
  C  C22  1  0.093  0.860  0.149  1.0
  C  C23  1  0.407  0.360  0.351  1.0
  C  C24  1  0.907  0.140  0.149  1.0
  C  C25  1  0.593  0.640  0.351  1.0
  Br  Br26  1  0.943  0.748  0.705  1.0
  Br  Br27  1  0.443  0.752  0.795  1.0
  Br  Br28  1  0.057  0.252  0.705  1.0
  Br  Br29  1  0.557  0.248  0.795  1.0
  Br  Br30  1  0.252  0.943  0.295  1.0
  Br  Br31  1  0.248  0.443  0.205  1.0
  Br  Br32  1  0.748  0.057  0.295  1.0
  Br  Br33  1  0.752  0.557  0.205  1.0
[/CIF]
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