The material structure described by BC5 crystallizes in the orthorhombic Imm2 space group. B(1) is bonded to two equivalent C(1) and two equivalent C(3) atoms to form BC4 tetrahedra that share corners with two equivalent B(1)C4 tetrahedra and corners with ten equivalent C(2)C4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded to one B(1) and three equivalent C(2) atoms to form distorted CBC3 tetrahedra that share corners with five equivalent C(3)B2C2 tetrahedra and corners with seven equivalent C(1)BC3 tetrahedra. In the second C site, C(2) is bonded to one C(3) and three equivalent C(1) atoms to form CC4 tetrahedra that share corners with five equivalent B(1)C4 tetrahedra and corners with seven equivalent C(2)C4 tetrahedra. In the third C site, C(3) is bonded to two equivalent B(1) and two equivalent C(2) atoms to form distorted CB2C2 tetrahedra that share corners with two equivalent C(3)B2C2 tetrahedra and corners with ten equivalent C(1)BC3 tetrahedra. is represented by the CIF file [CIF]
data_BC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.469
_cell_length_b   4.469
_cell_length_c   4.469
_cell_angle_alpha   147.448
_cell_angle_beta   130.612
_cell_angle_gamma   60.407
_symmetry_Int_Tables_number   1
_cell_volume   36.135
_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  0.476  0.500  0.976  1.0
  C  C1  1  0.889  0.672  0.216  1.0
  C  C2  1  0.544  0.328  0.216  1.0
  C  C3  1  0.127  0.168  0.958  1.0
  C  C4  1  0.790  0.832  0.958  1.0
  C  C5  1  0.175  0.000  0.175  1.0
[/CIF]
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The material structure described by BC5 crystallizes in the orthorhombic Imm2 space group. B(1) is bonded to two equivalent C(1) and two equivalent C(3) atoms to form BC4 tetrahedra that share corners with two equivalent B(1)C4 tetrahedra and corners with ten equivalent C(2)C4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded to one B(1) and three equivalent C(2) atoms to form distorted CBC3 tetrahedra that share corners with five equivalent C(3)B2C2 tetrahedra and corners with seven equivalent C(1)BC3 tetrahedra. In the second C site, C(2) is bonded to one C(3) and three equivalent C(1) atoms to form CC4 tetrahedra that share corners with five equivalent B(1)C4 tetrahedra and corners with seven equivalent C(2)C4 tetrahedra. In the third C site, C(3) is bonded to two equivalent B(1) and two equivalent C(2) atoms to form distorted CB2C2 tetrahedra that share corners with two equivalent C(3)B2C2 tetrahedra and corners with ten equivalent C(1)BC3 tetrahedra. is represented by the CIF file [CIF]
data_BC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.469
_cell_length_b   4.469
_cell_length_c   4.469
_cell_angle_alpha   147.448
_cell_angle_beta   130.612
_cell_angle_gamma   60.407
_symmetry_Int_Tables_number   1
_cell_volume   36.135
_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  0.476  0.500  0.976  1.0
  C  C1  1  0.889  0.672  0.216  1.0
  C  C2  1  0.544  0.328  0.216  1.0
  C  C3  1  0.127  0.168  0.958  1.0
  C  C4  1  0.790  0.832  0.958  1.0
  C  C5  1  0.175  0.000  0.175  1.0
[/CIF]
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