The material structure described by Th2Ru6C5 crystallizes in the tetragonal P4/mbm space group. Th(1) is bonded in a 18-coordinate geometry to two equivalent Ru(2), two equivalent Ru(3), eight equivalent Ru(1), and six equivalent C(2) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to four equivalent Th(1), one C(1), and two equivalent C(2) atoms. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to four equivalent Th(1) and four equivalent C(2) atoms. In the third Ru site, Ru(3) is bonded in a linear geometry to four equivalent Th(1) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Ru(3) and four equivalent Ru(1) atoms to form corner-sharing CRu6 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded in a 7-coordinate geometry to three equivalent Th(1), one Ru(2), two equivalent Ru(1), and one C(2) atom. is represented by the CIF file [CIF]
data_Th2Ru6C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.149
_cell_length_b   9.149
_cell_length_c   4.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.700
_cell_formula_units_Z   2
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  0.326  0.826  0.500  1.0
  Th  Th1  1  0.826  0.674  0.500  1.0
  Th  Th2  1  0.174  0.326  0.500  1.0
  Th  Th3  1  0.674  0.174  0.500  1.0
  Ru  Ru4  1  0.712  0.429  0.000  1.0
  Ru  Ru5  1  0.429  0.288  0.000  1.0
  Ru  Ru6  1  0.500  0.000  0.000  1.0
  Ru  Ru7  1  0.000  0.500  0.000  1.0
  Ru  Ru8  1  0.000  0.000  0.500  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  Ru  Ru10  1  0.788  0.929  0.000  1.0
  Ru  Ru11  1  0.929  0.212  0.000  1.0
  Ru  Ru12  1  0.071  0.788  0.000  1.0
  Ru  Ru13  1  0.212  0.071  0.000  1.0
  Ru  Ru14  1  0.571  0.712  0.000  1.0
  Ru  Ru15  1  0.288  0.571  0.000  1.0
  C  C16  1  0.500  0.500  0.000  1.0
  C  C17  1  0.000  0.000  0.000  1.0
  C  C18  1  0.874  0.374  0.671  1.0
  C  C19  1  0.126  0.626  0.671  1.0
  C  C20  1  0.874  0.374  0.329  1.0
  C  C21  1  0.374  0.126  0.329  1.0
  C  C22  1  0.626  0.874  0.329  1.0
  C  C23  1  0.126  0.626  0.329  1.0
  C  C24  1  0.626  0.874  0.671  1.0
  C  C25  1  0.374  0.126  0.671  1.0
[/CIF]
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The material structure described by Th2Ru6C5 crystallizes in the tetragonal P4/mbm space group. Th(1) is bonded in a 18-coordinate geometry to two equivalent Ru(2), two equivalent Ru(3), eight equivalent Ru(1), and six equivalent C(2) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to four equivalent Th(1), one C(1), and two equivalent C(2) atoms. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to four equivalent Th(1) and four equivalent C(2) atoms. In the third Ru site, Ru(3) is bonded in a linear geometry to four equivalent Th(1) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Ru(3) and four equivalent Ru(1) atoms to form corner-sharing CRu6 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded in a 7-coordinate geometry to three equivalent Th(1), one Ru(2), two equivalent Ru(1), and one C(2) atom. is represented by the CIF file [CIF]
data_Th2Ru6C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.149
_cell_length_b   9.149
_cell_length_c   4.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.700
_cell_formula_units_Z   2
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  0.326  0.826  0.500  1.0
  Th  Th1  1  0.826  0.674  0.500  1.0
  Th  Th2  1  0.174  0.326  0.500  1.0
  Th  Th3  1  0.674  0.174  0.500  1.0
  Ru  Ru4  1  0.712  0.429  0.000  1.0
  Ru  Ru5  1  0.429  0.288  0.000  1.0
  Ru  Ru6  1  0.500  0.000  0.000  1.0
  Ru  Ru7  1  0.000  0.500  0.000  1.0
  Ru  Ru8  1  0.000  0.000  0.500  1.0
  Ru  Ru9  1  0.500  0.500  0.500  1.0
  Ru  Ru10  1  0.788  0.929  0.000  1.0
  Ru  Ru11  1  0.929  0.212  0.000  1.0
  Ru  Ru12  1  0.071  0.788  0.000  1.0
  Ru  Ru13  1  0.212  0.071  0.000  1.0
  Ru  Ru14  1  0.571  0.712  0.000  1.0
  Ru  Ru15  1  0.288  0.571  0.000  1.0
  C  C16  1  0.500  0.500  0.000  1.0
  C  C17  1  0.000  0.000  0.000  1.0
  C  C18  1  0.874  0.374  0.671  1.0
  C  C19  1  0.126  0.626  0.671  1.0
  C  C20  1  0.874  0.374  0.329  1.0
  C  C21  1  0.374  0.126  0.329  1.0
  C  C22  1  0.626  0.874  0.329  1.0
  C  C23  1  0.126  0.626  0.329  1.0
  C  C24  1  0.626  0.874  0.671  1.0
  C  C25  1  0.374  0.126  0.671  1.0
[/CIF]
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