The material described by C 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 a mixture of corner and edge-sharing CC4 tetrahedra. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(2) and two equivalent C(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   3.678
_cell_length_c   4.245
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.277
_symmetry_Int_Tables_number   1
_cell_volume   56.960
_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  0.150  0.850  0.319  1.0
  C  C1  1  0.850  0.150  0.681  1.0
  C  C2  1  0.850  0.150  0.319  1.0
  C  C3  1  0.150  0.850  0.681  1.0
  C  C4  1  0.500  0.000  0.843  1.0
  C  C5  1  0.500  0.000  0.157  1.0
  C  C6  1  0.000  0.500  0.157  1.0
  C  C7  1  0.000  0.500  0.843  1.0
[/CIF]
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The material described by C 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 a mixture of corner and edge-sharing CC4 tetrahedra. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(2) and two equivalent C(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   3.678
_cell_length_c   4.245
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.277
_symmetry_Int_Tables_number   1
_cell_volume   56.960
_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  0.150  0.850  0.319  1.0
  C  C1  1  0.850  0.150  0.681  1.0
  C  C2  1  0.850  0.150  0.319  1.0
  C  C3  1  0.150  0.850  0.681  1.0
  C  C4  1  0.500  0.000  0.843  1.0
  C  C5  1  0.500  0.000  0.157  1.0
  C  C6  1  0.000  0.500  0.157  1.0
  C  C7  1  0.000  0.500  0.843  1.0
[/CIF]
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