The material described by Si is Theoretical Carbon Structure-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one Si(2), one Si(3), and two equivalent Si(1) atoms to form corner-sharing SiSi4 tetrahedra. In the second Si site, Si(3) is bonded to one Si(1), one Si(3), and two equivalent Si(2) atoms to form corner-sharing SiSi4 tetrahedra. In the third Si site, Si(2) is bonded to one Si(1), one Si(2), and two equivalent Si(3) atoms to form corner-sharing SiSi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   5.685
_cell_length_c   12.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.680
_symmetry_Int_Tables_number   1
_cell_volume   259.724
_cell_formula_units_Z   12
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  0.243  0.485  0.945  1.0
  Si  Si1  1  0.757  0.515  0.055  1.0
  Si  Si2  1  0.243  0.485  0.555  1.0
  Si  Si3  1  0.757  0.515  0.445  1.0
  Si  Si4  1  0.571  0.143  0.157  1.0
  Si  Si5  1  0.429  0.857  0.843  1.0
  Si  Si6  1  0.571  0.143  0.343  1.0
  Si  Si7  1  0.429  0.857  0.657  1.0
  Si  Si8  1  0.029  0.057  0.909  1.0
  Si  Si9  1  0.971  0.943  0.091  1.0
  Si  Si10  1  0.029  0.057  0.591  1.0
  Si  Si11  1  0.971  0.943  0.409  1.0
[/CIF]
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The material described by Si is Theoretical Carbon Structure-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one Si(2), one Si(3), and two equivalent Si(1) atoms to form corner-sharing SiSi4 tetrahedra. In the second Si site, Si(3) is bonded to one Si(1), one Si(3), and two equivalent Si(2) atoms to form corner-sharing SiSi4 tetrahedra. In the third Si site, Si(2) is bonded to one Si(1), one Si(2), and two equivalent Si(3) atoms to form corner-sharing SiSi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   5.685
_cell_length_c   12.673
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.680
_symmetry_Int_Tables_number   1
_cell_volume   259.724
_cell_formula_units_Z   12
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  0.243  0.485  0.945  1.0
  Si  Si1  1  0.757  0.515  0.055  1.0
  Si  Si2  1  0.243  0.485  0.555  1.0
  Si  Si3  1  0.757  0.515  0.445  1.0
  Si  Si4  1  0.571  0.143  0.157  1.0
  Si  Si5  1  0.429  0.857  0.843  1.0
  Si  Si6  1  0.571  0.143  0.343  1.0
  Si  Si7  1  0.429  0.857  0.657  1.0
  Si  Si8  1  0.029  0.057  0.909  1.0
  Si  Si9  1  0.971  0.943  0.091  1.0
  Si  Si10  1  0.029  0.057  0.591  1.0
  Si  Si11  1  0.971  0.943  0.409  1.0
[/CIF]
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