The compound described by Be(B6C)2 crystallizes in the trigonal R-3m space group. Be(1) is bonded in a linear geometry to two equivalent C(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. In the second B site, B(1) is bonded in a single-bond geometry to three equivalent B(2) and one C(1) atom. C(1) is bonded to one Be(1) and three equivalent B(1) atoms to form corner-sharing CBeB3 trigonal pyramids. is represented by the CIF file [CIF]
data_Be(B6C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.242
_cell_length_c   5.242
_cell_angle_alpha   64.600
_cell_angle_beta   64.600
_cell_angle_gamma   64.600
_symmetry_Int_Tables_number   1
_cell_volume   112.107
_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
  Be  Be0  1  0.500  0.500  0.500  1.0
  B  B1  1  0.679  0.197  0.197  1.0
  B  B2  1  0.197  0.197  0.679  1.0
  B  B3  1  0.197  0.679  0.197  1.0
  B  B4  1  0.321  0.803  0.803  1.0
  B  B5  1  0.803  0.803  0.321  1.0
  B  B6  1  0.803  0.321  0.803  1.0
  B  B7  1  0.333  0.003  0.003  1.0
  B  B8  1  0.003  0.003  0.333  1.0
  B  B9  1  0.003  0.333  0.003  1.0
  B  B10  1  0.667  0.997  0.997  1.0
  B  B11  1  0.997  0.997  0.667  1.0
  B  B12  1  0.997  0.667  0.997  1.0
  C  C13  1  0.635  0.635  0.635  1.0
  C  C14  1  0.365  0.365  0.365  1.0
[/CIF]
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The compound described by Be(B6C)2 crystallizes in the trigonal R-3m space group. Be(1) is bonded in a linear geometry to two equivalent C(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. In the second B site, B(1) is bonded in a single-bond geometry to three equivalent B(2) and one C(1) atom. C(1) is bonded to one Be(1) and three equivalent B(1) atoms to form corner-sharing CBeB3 trigonal pyramids. is represented by the CIF file [CIF]
data_Be(B6C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.242
_cell_length_c   5.242
_cell_angle_alpha   64.600
_cell_angle_beta   64.600
_cell_angle_gamma   64.600
_symmetry_Int_Tables_number   1
_cell_volume   112.107
_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
  Be  Be0  1  0.500  0.500  0.500  1.0
  B  B1  1  0.679  0.197  0.197  1.0
  B  B2  1  0.197  0.197  0.679  1.0
  B  B3  1  0.197  0.679  0.197  1.0
  B  B4  1  0.321  0.803  0.803  1.0
  B  B5  1  0.803  0.803  0.321  1.0
  B  B6  1  0.803  0.321  0.803  1.0
  B  B7  1  0.333  0.003  0.003  1.0
  B  B8  1  0.003  0.003  0.333  1.0
  B  B9  1  0.003  0.333  0.003  1.0
  B  B10  1  0.667  0.997  0.997  1.0
  B  B11  1  0.997  0.997  0.667  1.0
  B  B12  1  0.997  0.667  0.997  1.0
  C  C13  1  0.635  0.635  0.635  1.0
  C  C14  1  0.365  0.365  0.365  1.0
[/CIF]
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