The material structure described by C is diamond-like structured and crystallizes in the trigonal R-3m space group. There are four inequivalent C sites. In the first C site, C(1,4) is bonded to one C(1,4) and three equivalent C(5,6) atoms to form corner-sharing CC4 tetrahedra. In the second C site, C(2,3) is bonded to one C(5,6) and three equivalent C(7) atoms to form corner-sharing CC4 tetrahedra. In the third C site, C(7) is bonded to one C(7) and three equivalent C(2,3) atoms to form corner-sharing CC4 tetrahedra. In the fourth C site, C(5,6) is bonded to one C(2,3) and three equivalent C(1,4) atoms to form corner-sharing CC4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.521
_cell_length_b   14.521
_cell_length_c   14.521
_cell_angle_alpha   9.929
_cell_angle_beta   9.929
_cell_angle_gamma   9.929
_symmetry_Int_Tables_number   1
_cell_volume   79.042
_cell_formula_units_Z   14
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
  C  C0  1  0.410  0.410  0.410  1.0
  C  C1  1  0.304  0.304  0.304  1.0
  C  C2  1  0.590  0.590  0.590  1.0
  C  C3  1  0.173  0.173  0.173  1.0
  C  C4  1  0.827  0.827  0.827  1.0
  C  C5  1  0.553  0.553  0.553  1.0
  C  C6  1  0.208  0.208  0.208  1.0
  C  C7  1  0.732  0.732  0.732  1.0
  C  C8  1  0.268  0.268  0.268  1.0
  C  C9  1  0.447  0.447  0.447  1.0
  C  C10  1  0.018  0.018  0.018  1.0
  C  C11  1  0.792  0.792  0.792  1.0
  C  C12  1  0.696  0.696  0.696  1.0
  C  C13  1  0.982  0.982  0.982  1.0
[/CIF]
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The material structure described by C is diamond-like structured and crystallizes in the trigonal R-3m space group. There are four inequivalent C sites. In the first C site, C(1,4) is bonded to one C(1,4) and three equivalent C(5,6) atoms to form corner-sharing CC4 tetrahedra. In the second C site, C(2,3) is bonded to one C(5,6) and three equivalent C(7) atoms to form corner-sharing CC4 tetrahedra. In the third C site, C(7) is bonded to one C(7) and three equivalent C(2,3) atoms to form corner-sharing CC4 tetrahedra. In the fourth C site, C(5,6) is bonded to one C(2,3) and three equivalent C(1,4) atoms to form corner-sharing CC4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.521
_cell_length_b   14.521
_cell_length_c   14.521
_cell_angle_alpha   9.929
_cell_angle_beta   9.929
_cell_angle_gamma   9.929
_symmetry_Int_Tables_number   1
_cell_volume   79.042
_cell_formula_units_Z   14
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
  C  C0  1  0.410  0.410  0.410  1.0
  C  C1  1  0.304  0.304  0.304  1.0
  C  C2  1  0.590  0.590  0.590  1.0
  C  C3  1  0.173  0.173  0.173  1.0
  C  C4  1  0.827  0.827  0.827  1.0
  C  C5  1  0.553  0.553  0.553  1.0
  C  C6  1  0.208  0.208  0.208  1.0
  C  C7  1  0.732  0.732  0.732  1.0
  C  C8  1  0.268  0.268  0.268  1.0
  C  C9  1  0.447  0.447  0.447  1.0
  C  C10  1  0.018  0.018  0.018  1.0
  C  C11  1  0.792  0.792  0.792  1.0
  C  C12  1  0.696  0.696  0.696  1.0
  C  C13  1  0.982  0.982  0.982  1.0
[/CIF]
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