The material structure described by Ru4Al3B2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a body-centered cubic geometry to two equivalent Al(1), four equivalent Al(3), and two equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a 10-coordinate geometry to two equivalent Al(2), four equivalent Al(3), and four equivalent B(1) atoms. There are three 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 to eight equivalent Ru(2) and four equivalent B(1) atoms to form distorted face-sharing AlB4Ru8 cuboctahedra. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to four equivalent Ru(1), four equivalent Ru(2), one Al(3), and two equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Al(2), and two equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_Al3(BRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.931
_cell_length_b   8.482
_cell_length_c   8.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.884
_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
  Al  Al0  1  0.500  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  Al  Al2  1  0.500  0.346  0.000  1.0
  Al  Al3  1  0.500  0.000  0.346  1.0
  Al  Al4  1  0.500  0.000  0.654  1.0
  Al  Al5  1  0.500  0.654  0.000  1.0
  B  B6  1  0.500  0.306  0.306  1.0
  B  B7  1  0.500  0.694  0.306  1.0
  B  B8  1  0.500  0.306  0.694  1.0
  B  B9  1  0.500  0.694  0.694  1.0
  Ru  Ru10  1  0.000  0.824  0.824  1.0
  Ru  Ru11  1  0.000  0.176  0.824  1.0
  Ru  Ru12  1  0.000  0.824  0.176  1.0
  Ru  Ru13  1  0.000  0.176  0.176  1.0
  Ru  Ru14  1  0.000  0.755  0.500  1.0
  Ru  Ru15  1  0.000  0.500  0.755  1.0
  Ru  Ru16  1  0.000  0.500  0.245  1.0
  Ru  Ru17  1  0.000  0.245  0.500  1.0
[/CIF]
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The material structure described by Ru4Al3B2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a body-centered cubic geometry to two equivalent Al(1), four equivalent Al(3), and two equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a 10-coordinate geometry to two equivalent Al(2), four equivalent Al(3), and four equivalent B(1) atoms. There are three 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 to eight equivalent Ru(2) and four equivalent B(1) atoms to form distorted face-sharing AlB4Ru8 cuboctahedra. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to four equivalent Ru(1), four equivalent Ru(2), one Al(3), and two equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Al(2), and two equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_Al3(BRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.931
_cell_length_b   8.482
_cell_length_c   8.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.884
_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
  Al  Al0  1  0.500  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  Al  Al2  1  0.500  0.346  0.000  1.0
  Al  Al3  1  0.500  0.000  0.346  1.0
  Al  Al4  1  0.500  0.000  0.654  1.0
  Al  Al5  1  0.500  0.654  0.000  1.0
  B  B6  1  0.500  0.306  0.306  1.0
  B  B7  1  0.500  0.694  0.306  1.0
  B  B8  1  0.500  0.306  0.694  1.0
  B  B9  1  0.500  0.694  0.694  1.0
  Ru  Ru10  1  0.000  0.824  0.824  1.0
  Ru  Ru11  1  0.000  0.176  0.824  1.0
  Ru  Ru12  1  0.000  0.824  0.176  1.0
  Ru  Ru13  1  0.000  0.176  0.176  1.0
  Ru  Ru14  1  0.000  0.755  0.500  1.0
  Ru  Ru15  1  0.000  0.500  0.755  1.0
  Ru  Ru16  1  0.000  0.500  0.245  1.0
  Ru  Ru17  1  0.000  0.245  0.500  1.0
[/CIF]
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