The material structure described by BC5 crystallizes in the tetragonal I-4m2 space group. B(1) is bonded to four equivalent C(1) atoms to form BC4 tetrahedra that share corners with four equivalent B(1)C4 tetrahedra and corners with eight equivalent C(3)C4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent B(1) and two equivalent C(3) atoms to form CB2C2 tetrahedra that share corners with four equivalent C(2)C4 tetrahedra and corners with eight equivalent C(1)B2C2 tetrahedra. In the second C site, C(2) is bonded to four equivalent C(3) atoms to form CC4 tetrahedra that share corners with four equivalent C(2)C4 tetrahedra and corners with eight equivalent C(1)B2C2 tetrahedra. In the third C site, C(3) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form CC4 tetrahedra that share corners with four equivalent B(1)C4 tetrahedra and corners with eight equivalent C(3)C4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.976
_cell_length_c   5.976
_cell_angle_alpha   155.695
_cell_angle_beta   155.695
_cell_angle_gamma   34.641
_symmetry_Int_Tables_number   1
_cell_volume   36.115
_cell_formula_units_Z   1
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
  B  B0  1  0.750  0.250  0.500  1.0
  C  C1  1  0.844  0.844  0.000  1.0
  C  C2  1  0.156  0.156  0.000  1.0
  C  C3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.420  0.920  0.500  1.0
  C  C5  1  0.080  0.580  0.500  1.0
[/CIF]
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The material structure described by BC5 crystallizes in the tetragonal I-4m2 space group. B(1) is bonded to four equivalent C(1) atoms to form BC4 tetrahedra that share corners with four equivalent B(1)C4 tetrahedra and corners with eight equivalent C(3)C4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent B(1) and two equivalent C(3) atoms to form CB2C2 tetrahedra that share corners with four equivalent C(2)C4 tetrahedra and corners with eight equivalent C(1)B2C2 tetrahedra. In the second C site, C(2) is bonded to four equivalent C(3) atoms to form CC4 tetrahedra that share corners with four equivalent C(2)C4 tetrahedra and corners with eight equivalent C(1)B2C2 tetrahedra. In the third C site, C(3) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form CC4 tetrahedra that share corners with four equivalent B(1)C4 tetrahedra and corners with eight equivalent C(3)C4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.976
_cell_length_c   5.976
_cell_angle_alpha   155.695
_cell_angle_beta   155.695
_cell_angle_gamma   34.641
_symmetry_Int_Tables_number   1
_cell_volume   36.115
_cell_formula_units_Z   1
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
  B  B0  1  0.750  0.250  0.500  1.0
  C  C1  1  0.844  0.844  0.000  1.0
  C  C2  1  0.156  0.156  0.000  1.0
  C  C3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.420  0.920  0.500  1.0
  C  C5  1  0.080  0.580  0.500  1.0
[/CIF]
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