The material described by SiC is Moissanite-6H-like structured and crystallizes in the trigonal P3m1 space group. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one C(4) and three equivalent C(2) atoms to form corner-sharing SiC4 tetrahedra. In the second Si site, Si(2) is bonded to one C(1) and three equivalent C(5) atoms to form corner-sharing SiC4 tetrahedra. In the third Si site, Si(3) is bonded to one C(3) and three equivalent C(1) atoms to form corner-sharing SiC4 tetrahedra. In the fourth Si site, Si(4) is bonded to one C(2) and three equivalent C(3) atoms to form corner-sharing SiC4 tetrahedra. In the fifth Si site, Si(5) is bonded to one C(5) and three equivalent C(4) atoms to form corner-sharing SiC4 tetrahedra. There are five inequivalent C sites. In the first C site, C(1) is bonded to one Si(2) and three equivalent Si(3) atoms to form corner-sharing CSi4 tetrahedra. In the second C site, C(2) is bonded to one Si(4) and three equivalent Si(1) atoms to form corner-sharing CSi4 tetrahedra. In the third C site, C(3) is bonded to one Si(3) and three equivalent Si(4) atoms to form corner-sharing CSi4 tetrahedra. In the fourth C site, C(4) is bonded to one Si(1) and three equivalent Si(5) atoms to form corner-sharing CSi4 tetrahedra. In the fifth C site, C(5) is bonded to one Si(5) and three equivalent Si(2) atoms to form corner-sharing CSi4 tetrahedra. is represented by the CIF card [CIF]
data_SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.077
_cell_length_b   3.077
_cell_length_c   12.584
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   103.148
_cell_formula_units_Z   5
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  0.667  0.333  0.400  1.0
  Si  Si1  1  0.667  0.333  0.800  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.333  0.667  0.200  1.0
  Si  Si4  1  0.000  0.000  0.600  1.0
  C  C5  1  0.667  0.333  0.950  1.0
  C  C6  1  0.333  0.667  0.350  1.0
  C  C7  1  0.000  0.000  0.150  1.0
  C  C8  1  0.667  0.333  0.550  1.0
  C  C9  1  0.000  0.000  0.750  1.0
[/CIF]
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The material described by SiC is Moissanite-6H-like structured and crystallizes in the trigonal P3m1 space group. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one C(4) and three equivalent C(2) atoms to form corner-sharing SiC4 tetrahedra. In the second Si site, Si(2) is bonded to one C(1) and three equivalent C(5) atoms to form corner-sharing SiC4 tetrahedra. In the third Si site, Si(3) is bonded to one C(3) and three equivalent C(1) atoms to form corner-sharing SiC4 tetrahedra. In the fourth Si site, Si(4) is bonded to one C(2) and three equivalent C(3) atoms to form corner-sharing SiC4 tetrahedra. In the fifth Si site, Si(5) is bonded to one C(5) and three equivalent C(4) atoms to form corner-sharing SiC4 tetrahedra. There are five inequivalent C sites. In the first C site, C(1) is bonded to one Si(2) and three equivalent Si(3) atoms to form corner-sharing CSi4 tetrahedra. In the second C site, C(2) is bonded to one Si(4) and three equivalent Si(1) atoms to form corner-sharing CSi4 tetrahedra. In the third C site, C(3) is bonded to one Si(3) and three equivalent Si(4) atoms to form corner-sharing CSi4 tetrahedra. In the fourth C site, C(4) is bonded to one Si(1) and three equivalent Si(5) atoms to form corner-sharing CSi4 tetrahedra. In the fifth C site, C(5) is bonded to one Si(5) and three equivalent Si(2) atoms to form corner-sharing CSi4 tetrahedra. is represented by the CIF card [CIF]
data_SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.077
_cell_length_b   3.077
_cell_length_c   12.584
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   103.148
_cell_formula_units_Z   5
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  0.667  0.333  0.400  1.0
  Si  Si1  1  0.667  0.333  0.800  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.333  0.667  0.200  1.0
  Si  Si4  1  0.000  0.000  0.600  1.0
  C  C5  1  0.667  0.333  0.950  1.0
  C  C6  1  0.333  0.667  0.350  1.0
  C  C7  1  0.000  0.000  0.150  1.0
  C  C8  1  0.667  0.333  0.550  1.0
  C  C9  1  0.000  0.000  0.750  1.0
[/CIF]
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