The compound described by ThC2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Th(1) is bonded to six equivalent C(1) atoms to form ThC6 octahedra that share corners with twelve equivalent Th(1)C6 octahedra and corners with six equivalent C(1)Th3C tetrahedra. The corner-sharing octahedral tilt angles are 74°. C(1) is bonded to three equivalent Th(1) and one C(1) atom to form CTh3C tetrahedra that share corners with three equivalent Th(1)C6 octahedra and corners with fifteen equivalent C(1)Th3C tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF card [CIF]
data_ThC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.805
_cell_length_b   5.805
_cell_length_c   5.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.593
_cell_formula_units_Z   4
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  0.000  0.500  0.500  1.0
  Th  Th1  1  0.500  0.500  0.000  1.0
  Th  Th2  1  0.500  0.000  0.500  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.433  0.067  0.933  1.0
  C  C5  1  0.067  0.933  0.433  1.0
  C  C6  1  0.933  0.433  0.067  1.0
  C  C7  1  0.567  0.567  0.567  1.0
  C  C8  1  0.433  0.433  0.433  1.0
  C  C9  1  0.067  0.567  0.933  1.0
  C  C10  1  0.933  0.067  0.567  1.0
  C  C11  1  0.567  0.933  0.067  1.0
[/CIF]
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The compound described by ThC2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Th(1) is bonded to six equivalent C(1) atoms to form ThC6 octahedra that share corners with twelve equivalent Th(1)C6 octahedra and corners with six equivalent C(1)Th3C tetrahedra. The corner-sharing octahedral tilt angles are 74°. C(1) is bonded to three equivalent Th(1) and one C(1) atom to form CTh3C tetrahedra that share corners with three equivalent Th(1)C6 octahedra and corners with fifteen equivalent C(1)Th3C tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF card [CIF]
data_ThC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.805
_cell_length_b   5.805
_cell_length_c   5.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.593
_cell_formula_units_Z   4
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  0.000  0.500  0.500  1.0
  Th  Th1  1  0.500  0.500  0.000  1.0
  Th  Th2  1  0.500  0.000  0.500  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.433  0.067  0.933  1.0
  C  C5  1  0.067  0.933  0.433  1.0
  C  C6  1  0.933  0.433  0.067  1.0
  C  C7  1  0.567  0.567  0.567  1.0
  C  C8  1  0.433  0.433  0.433  1.0
  C  C9  1  0.067  0.567  0.933  1.0
  C  C10  1  0.933  0.067  0.567  1.0
  C  C11  1  0.567  0.933  0.067  1.0
[/CIF]
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