The material structure described by Al3Ru2 crystallizes in the tetragonal I4/mmm space group. Ru(1) is bonded in a 9-coordinate geometry to four equivalent Al(1) and five equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to eight equivalent Ru(1) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to five equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_Al3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.078
_cell_length_b   3.078
_cell_length_c   7.467
_cell_angle_alpha   101.893
_cell_angle_beta   101.893
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.666
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.806  0.806  0.612  1.0
  Al  Al2  1  0.194  0.194  0.388  1.0
  Ru  Ru3  1  0.606  0.606  0.212  1.0
  Ru  Ru4  1  0.394  0.394  0.788  1.0
[/CIF]
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The material structure described by Al3Ru2 crystallizes in the tetragonal I4/mmm space group. Ru(1) is bonded in a 9-coordinate geometry to four equivalent Al(1) and five equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to eight equivalent Ru(1) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to five equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_Al3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.078
_cell_length_b   3.078
_cell_length_c   7.467
_cell_angle_alpha   101.893
_cell_angle_beta   101.893
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.666
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.806  0.806  0.612  1.0
  Al  Al2  1  0.194  0.194  0.388  1.0
  Ru  Ru3  1  0.606  0.606  0.212  1.0
  Ru  Ru4  1  0.394  0.394  0.788  1.0
[/CIF]
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