The material structure described by Th7Ru3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a distorted water-like geometry to four equivalent Ru(1) atoms. In the second Th site, Th(2) is bonded in a 3-coordinate geometry to four equivalent Ru(1) atoms. In the third Th site, Th(3) is bonded in a 3-coordinate geometry to three equivalent Ru(1) atoms. Ru(1) is bonded in a 9-coordinate geometry to one Th(3), four equivalent Th(1), and four equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th7Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.920
_cell_length_b   9.920
_cell_length_c   6.374
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   543.253
_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  0.460  0.540  0.302  1.0
  Th  Th1  1  0.081  0.540  0.302  1.0
  Th  Th2  1  0.919  0.460  0.802  1.0
  Th  Th3  1  0.251  0.125  0.506  1.0
  Th  Th4  1  0.540  0.081  0.802  1.0
  Th  Th5  1  0.749  0.875  0.006  1.0
  Th  Th6  1  0.667  0.333  0.287  1.0
  Th  Th7  1  0.125  0.875  0.006  1.0
  Th  Th8  1  0.460  0.919  0.302  1.0
  Th  Th9  1  0.540  0.460  0.802  1.0
  Th  Th10  1  0.875  0.125  0.506  1.0
  Th  Th11  1  0.125  0.251  0.006  1.0
  Th  Th12  1  0.875  0.749  0.506  1.0
  Th  Th13  1  0.333  0.667  0.787  1.0
  Ru  Ru14  1  0.814  0.628  0.045  1.0
  Ru  Ru15  1  0.814  0.186  0.045  1.0
  Ru  Ru16  1  0.628  0.814  0.545  1.0
  Ru  Ru17  1  0.372  0.186  0.045  1.0
  Ru  Ru18  1  0.186  0.372  0.545  1.0
  Ru  Ru19  1  0.186  0.814  0.545  1.0
[/CIF]
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The material structure described by Th7Ru3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a distorted water-like geometry to four equivalent Ru(1) atoms. In the second Th site, Th(2) is bonded in a 3-coordinate geometry to four equivalent Ru(1) atoms. In the third Th site, Th(3) is bonded in a 3-coordinate geometry to three equivalent Ru(1) atoms. Ru(1) is bonded in a 9-coordinate geometry to one Th(3), four equivalent Th(1), and four equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th7Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.920
_cell_length_b   9.920
_cell_length_c   6.374
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   543.253
_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  0.460  0.540  0.302  1.0
  Th  Th1  1  0.081  0.540  0.302  1.0
  Th  Th2  1  0.919  0.460  0.802  1.0
  Th  Th3  1  0.251  0.125  0.506  1.0
  Th  Th4  1  0.540  0.081  0.802  1.0
  Th  Th5  1  0.749  0.875  0.006  1.0
  Th  Th6  1  0.667  0.333  0.287  1.0
  Th  Th7  1  0.125  0.875  0.006  1.0
  Th  Th8  1  0.460  0.919  0.302  1.0
  Th  Th9  1  0.540  0.460  0.802  1.0
  Th  Th10  1  0.875  0.125  0.506  1.0
  Th  Th11  1  0.125  0.251  0.006  1.0
  Th  Th12  1  0.875  0.749  0.506  1.0
  Th  Th13  1  0.333  0.667  0.787  1.0
  Ru  Ru14  1  0.814  0.628  0.045  1.0
  Ru  Ru15  1  0.814  0.186  0.045  1.0
  Ru  Ru16  1  0.628  0.814  0.545  1.0
  Ru  Ru17  1  0.372  0.186  0.045  1.0
  Ru  Ru18  1  0.186  0.372  0.545  1.0
  Ru  Ru19  1  0.186  0.814  0.545  1.0
[/CIF]
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