The material described by C is Clathrate-like structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form corner-sharing CC4 tetrahedra. In the second C site, C(2) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form a mixture of edge and corner-sharing CC4 tetrahedra. is represented by the CIF card [CIF]
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.500
_cell_length_b   4.230
_cell_length_c   4.845
_cell_angle_alpha   115.883
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   46.097
_cell_formula_units_Z   8
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  0.000  0.981  0.333  1.0
  C  C1  1  0.000  0.019  0.667  1.0
  C  C2  1  0.000  0.352  0.333  1.0
  C  C3  1  0.000  0.648  0.667  1.0
  C  C4  1  0.500  0.226  0.822  1.0
  C  C5  1  0.500  0.774  0.178  1.0
  C  C6  1  0.500  0.595  0.822  1.0
  C  C7  1  0.500  0.405  0.178  1.0
[/CIF]
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The material described by C is Clathrate-like structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form corner-sharing CC4 tetrahedra. In the second C site, C(2) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form a mixture of edge and corner-sharing CC4 tetrahedra. is represented by the CIF card [CIF]
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.500
_cell_length_b   4.230
_cell_length_c   4.845
_cell_angle_alpha   115.883
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   46.097
_cell_formula_units_Z   8
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  0.000  0.981  0.333  1.0
  C  C1  1  0.000  0.019  0.667  1.0
  C  C2  1  0.000  0.352  0.333  1.0
  C  C3  1  0.000  0.648  0.667  1.0
  C  C4  1  0.500  0.226  0.822  1.0
  C  C5  1  0.500  0.774  0.178  1.0
  C  C6  1  0.500  0.595  0.822  1.0
  C  C7  1  0.500  0.405  0.178  1.0
[/CIF]
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