The compound described by BC3 crystallizes in the cubic I-43m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal planar geometry to three equivalent C(1) atoms. In the second B site, B(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent C(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent B(1) and two equivalent C(2) atoms to form distorted CB2C2 tetrahedra that share corners with four equivalent C(1)B2C2 tetrahedra and corners with four equivalent C(3)C4 tetrahedra. In the second C site, C(2) is bonded to one B(2), one C(1), and two equivalent C(3) atoms to form distorted corner-sharing CBC3 tetrahedra. In the third C site, C(3) is bonded to four equivalent C(2) atoms to form CC4 tetrahedra that share corners with four equivalent C(1)B2C2 tetrahedra and corners with four equivalent C(3)C4 tetrahedra. is represented by the CIF card [CIF]
data_BC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   6.352
_cell_length_c   6.352
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   197.328
_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
  B  B0  1  0.206  0.000  0.000  1.0
  B  B1  1  0.000  0.000  0.516  1.0
  B  B2  1  0.000  0.516  0.000  1.0
  B  B3  1  0.000  0.206  0.000  1.0
  B  B4  1  0.516  0.000  0.000  1.0
  B  B5  1  0.000  0.000  0.206  1.0
  B  B6  1  0.484  0.484  0.484  1.0
  B  B7  1  0.794  0.794  0.794  1.0
  C  C8  1  0.733  0.733  0.000  1.0
  C  C9  1  0.506  0.506  0.248  1.0
  C  C10  1  0.000  0.267  0.267  1.0
  C  C11  1  0.000  0.733  0.733  1.0
  C  C12  1  0.506  0.248  0.506  1.0
  C  C13  1  0.494  0.000  0.742  1.0
  C  C14  1  0.258  0.752  0.258  1.0
  C  C15  1  0.267  0.267  0.000  1.0
  C  C16  1  0.500  0.250  0.750  1.0
  C  C17  1  0.248  0.506  0.506  1.0
  C  C18  1  0.752  0.258  0.258  1.0
  C  C19  1  0.742  0.494  0.000  1.0
  C  C20  1  0.500  0.750  0.250  1.0
  C  C21  1  0.000  0.742  0.494  1.0
  C  C22  1  0.000  0.494  0.742  1.0
  C  C23  1  0.258  0.258  0.752  1.0
  C  C24  1  0.742  0.000  0.494  1.0
  C  C25  1  0.494  0.742  0.000  1.0
  C  C26  1  0.267  0.000  0.267  1.0
  C  C27  1  0.750  0.500  0.250  1.0
  C  C28  1  0.250  0.750  0.500  1.0
  C  C29  1  0.250  0.500  0.750  1.0
  C  C30  1  0.733  0.000  0.733  1.0
  C  C31  1  0.750  0.250  0.500  1.0
[/CIF]
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The compound described by BC3 crystallizes in the cubic I-43m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal planar geometry to three equivalent C(1) atoms. In the second B site, B(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent C(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent B(1) and two equivalent C(2) atoms to form distorted CB2C2 tetrahedra that share corners with four equivalent C(1)B2C2 tetrahedra and corners with four equivalent C(3)C4 tetrahedra. In the second C site, C(2) is bonded to one B(2), one C(1), and two equivalent C(3) atoms to form distorted corner-sharing CBC3 tetrahedra. In the third C site, C(3) is bonded to four equivalent C(2) atoms to form CC4 tetrahedra that share corners with four equivalent C(1)B2C2 tetrahedra and corners with four equivalent C(3)C4 tetrahedra. is represented by the CIF card [CIF]
data_BC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   6.352
_cell_length_c   6.352
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   197.328
_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
  B  B0  1  0.206  0.000  0.000  1.0
  B  B1  1  0.000  0.000  0.516  1.0
  B  B2  1  0.000  0.516  0.000  1.0
  B  B3  1  0.000  0.206  0.000  1.0
  B  B4  1  0.516  0.000  0.000  1.0
  B  B5  1  0.000  0.000  0.206  1.0
  B  B6  1  0.484  0.484  0.484  1.0
  B  B7  1  0.794  0.794  0.794  1.0
  C  C8  1  0.733  0.733  0.000  1.0
  C  C9  1  0.506  0.506  0.248  1.0
  C  C10  1  0.000  0.267  0.267  1.0
  C  C11  1  0.000  0.733  0.733  1.0
  C  C12  1  0.506  0.248  0.506  1.0
  C  C13  1  0.494  0.000  0.742  1.0
  C  C14  1  0.258  0.752  0.258  1.0
  C  C15  1  0.267  0.267  0.000  1.0
  C  C16  1  0.500  0.250  0.750  1.0
  C  C17  1  0.248  0.506  0.506  1.0
  C  C18  1  0.752  0.258  0.258  1.0
  C  C19  1  0.742  0.494  0.000  1.0
  C  C20  1  0.500  0.750  0.250  1.0
  C  C21  1  0.000  0.742  0.494  1.0
  C  C22  1  0.000  0.494  0.742  1.0
  C  C23  1  0.258  0.258  0.752  1.0
  C  C24  1  0.742  0.000  0.494  1.0
  C  C25  1  0.494  0.742  0.000  1.0
  C  C26  1  0.267  0.000  0.267  1.0
  C  C27  1  0.750  0.500  0.250  1.0
  C  C28  1  0.250  0.750  0.500  1.0
  C  C29  1  0.250  0.500  0.750  1.0
  C  C30  1  0.733  0.000  0.733  1.0
  C  C31  1  0.750  0.250  0.500  1.0
[/CIF]
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