The material described by Ru3Al2B2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 10-coordinate geometry to four equivalent Al(1) and six equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. Al(1) is bonded in a 9-coordinate geometry to four equivalent Ru(1), four equivalent Ru(2), and one B(1) atom. B(1) is bonded in a 9-coordinate geometry to six equivalent Ru(1), one Al(1), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Al2B2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.042
_cell_length_b   9.042
_cell_length_c   2.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.651
_symmetry_Int_Tables_number   1
_cell_volume   79.706
_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  0.421  0.579  0.500  1.0
  Al  Al1  1  0.579  0.421  0.500  1.0
  B  B2  1  0.278  0.722  0.500  1.0
  B  B3  1  0.722  0.278  0.500  1.0
  Ru  Ru4  1  0.175  0.825  0.000  1.0
  Ru  Ru5  1  0.000  0.000  0.000  1.0
  Ru  Ru6  1  0.825  0.175  0.000  1.0
[/CIF]
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The material described by Ru3Al2B2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 10-coordinate geometry to four equivalent Al(1) and six equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. Al(1) is bonded in a 9-coordinate geometry to four equivalent Ru(1), four equivalent Ru(2), and one B(1) atom. B(1) is bonded in a 9-coordinate geometry to six equivalent Ru(1), one Al(1), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Al2B2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.042
_cell_length_b   9.042
_cell_length_c   2.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.651
_symmetry_Int_Tables_number   1
_cell_volume   79.706
_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  0.421  0.579  0.500  1.0
  Al  Al1  1  0.579  0.421  0.500  1.0
  B  B2  1  0.278  0.722  0.500  1.0
  B  B3  1  0.722  0.278  0.500  1.0
  Ru  Ru4  1  0.175  0.825  0.000  1.0
  Ru  Ru5  1  0.000  0.000  0.000  1.0
  Ru  Ru6  1  0.825  0.175  0.000  1.0
[/CIF]
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