The crystal structure described by ThB2C crystallizes in the trigonal R-3m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. In the second Th site, Th(2) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. B(1) is bonded in a distorted single-bond geometry to one C(1) atom. C(1) is bonded in a distorted linear geometry to two equivalent Th(1), two equivalent Th(2), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ThB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.443
_cell_length_c   5.443
_cell_angle_alpha   75.989
_cell_angle_beta   75.989
_cell_angle_gamma   75.989
_symmetry_Int_Tables_number   1
_cell_volume   148.883
_cell_formula_units_Z   3
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
  Th  Th0  1  0.685  0.685  0.685  1.0
  Th  Th1  1  0.315  0.315  0.315  1.0
  Th  Th2  1  0.000  0.000  0.000  1.0
  B  B3  1  0.776  0.500  0.224  1.0
  B  B4  1  0.500  0.224  0.776  1.0
  B  B5  1  0.224  0.776  0.500  1.0
  B  B6  1  0.224  0.500  0.776  1.0
  B  B7  1  0.776  0.224  0.500  1.0
  B  B8  1  0.500  0.776  0.224  1.0
  C  C9  1  0.000  0.000  0.500  1.0
  C  C10  1  0.500  0.000  0.000  1.0
  C  C11  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by ThB2C crystallizes in the trigonal R-3m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. In the second Th site, Th(2) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. B(1) is bonded in a distorted single-bond geometry to one C(1) atom. C(1) is bonded in a distorted linear geometry to two equivalent Th(1), two equivalent Th(2), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ThB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.443
_cell_length_c   5.443
_cell_angle_alpha   75.989
_cell_angle_beta   75.989
_cell_angle_gamma   75.989
_symmetry_Int_Tables_number   1
_cell_volume   148.883
_cell_formula_units_Z   3
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
  Th  Th0  1  0.685  0.685  0.685  1.0
  Th  Th1  1  0.315  0.315  0.315  1.0
  Th  Th2  1  0.000  0.000  0.000  1.0
  B  B3  1  0.776  0.500  0.224  1.0
  B  B4  1  0.500  0.224  0.776  1.0
  B  B5  1  0.224  0.776  0.500  1.0
  B  B6  1  0.224  0.500  0.776  1.0
  B  B7  1  0.776  0.224  0.500  1.0
  B  B8  1  0.500  0.776  0.224  1.0
  C  C9  1  0.000  0.000  0.500  1.0
  C  C10  1  0.500  0.000  0.000  1.0
  C  C11  1  0.000  0.500  0.000  1.0
[/CIF]
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