The material structure described by Ce5Ru3Al2 crystallizes in the trigonal R3 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Al(2), and three equivalent Al(1) atoms. In the second Ce site, Ce(2) is bonded to one Ru(2), two equivalent Ru(1), and one Al(1) atom to form distorted corner-sharing CeAlRu3 tetrahedra. In the third Ce site, Ce(3) is bonded in a 8-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Al(2), and three equivalent Al(1) atoms. In the fourth Ce site, Ce(4) is bonded to three equivalent Ru(2) and one Al(2) atom to form distorted corner-sharing CeAlRu3 tetrahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Al(1), and one Al(2) atom. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Ce(2), one Ce(4), two equivalent Ce(1), two equivalent Ce(3), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to one Ce(4), three equivalent Ce(1), three equivalent Ce(3), and three equivalent Ru(1) atoms. In the second Al site, Al(1) is bonded in a 10-coordinate geometry to one Ce(2), three equivalent Ce(1), three equivalent Ce(3), one Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_Ce5Al2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.432
_cell_length_b   8.432
_cell_length_c   8.432
_cell_angle_alpha   109.707
_cell_angle_beta   109.707
_cell_angle_gamma   109.707
_symmetry_Int_Tables_number   1
_cell_volume   457.497
_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
  Ce  Ce0  1  0.465  0.153  0.211  1.0
  Ce  Ce1  1  0.153  0.211  0.465  1.0
  Ce  Ce2  1  0.211  0.465  0.153  1.0
  Ce  Ce3  1  0.415  0.693  0.905  1.0
  Ce  Ce4  1  0.693  0.905  0.415  1.0
  Ce  Ce5  1  0.905  0.415  0.693  1.0
  Ce  Ce6  1  0.654  0.102  0.848  1.0
  Ce  Ce7  1  0.102  0.848  0.654  1.0
  Ce  Ce8  1  0.848  0.654  0.102  1.0
  Ce  Ce9  1  0.616  0.616  0.616  1.0
  Al  Al10  1  0.406  0.311  0.911  1.0
  Al  Al11  1  0.311  0.911  0.406  1.0
  Al  Al12  1  0.911  0.406  0.311  1.0
  Al  Al13  1  0.000  0.000  0.000  1.0
  Ru  Ru14  1  0.030  0.165  0.789  1.0
  Ru  Ru15  1  0.165  0.789  0.030  1.0
  Ru  Ru16  1  0.789  0.030  0.165  1.0
  Ru  Ru17  1  0.660  0.527  0.289  1.0
  Ru  Ru18  1  0.527  0.289  0.660  1.0
  Ru  Ru19  1  0.289  0.660  0.527  1.0
[/CIF]
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The material structure described by Ce5Ru3Al2 crystallizes in the trigonal R3 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Al(2), and three equivalent Al(1) atoms. In the second Ce site, Ce(2) is bonded to one Ru(2), two equivalent Ru(1), and one Al(1) atom to form distorted corner-sharing CeAlRu3 tetrahedra. In the third Ce site, Ce(3) is bonded in a 8-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Al(2), and three equivalent Al(1) atoms. In the fourth Ce site, Ce(4) is bonded to three equivalent Ru(2) and one Al(2) atom to form distorted corner-sharing CeAlRu3 tetrahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Al(1), and one Al(2) atom. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Ce(2), one Ce(4), two equivalent Ce(1), two equivalent Ce(3), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to one Ce(4), three equivalent Ce(1), three equivalent Ce(3), and three equivalent Ru(1) atoms. In the second Al site, Al(1) is bonded in a 10-coordinate geometry to one Ce(2), three equivalent Ce(1), three equivalent Ce(3), one Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_Ce5Al2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.432
_cell_length_b   8.432
_cell_length_c   8.432
_cell_angle_alpha   109.707
_cell_angle_beta   109.707
_cell_angle_gamma   109.707
_symmetry_Int_Tables_number   1
_cell_volume   457.497
_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
  Ce  Ce0  1  0.465  0.153  0.211  1.0
  Ce  Ce1  1  0.153  0.211  0.465  1.0
  Ce  Ce2  1  0.211  0.465  0.153  1.0
  Ce  Ce3  1  0.415  0.693  0.905  1.0
  Ce  Ce4  1  0.693  0.905  0.415  1.0
  Ce  Ce5  1  0.905  0.415  0.693  1.0
  Ce  Ce6  1  0.654  0.102  0.848  1.0
  Ce  Ce7  1  0.102  0.848  0.654  1.0
  Ce  Ce8  1  0.848  0.654  0.102  1.0
  Ce  Ce9  1  0.616  0.616  0.616  1.0
  Al  Al10  1  0.406  0.311  0.911  1.0
  Al  Al11  1  0.311  0.911  0.406  1.0
  Al  Al12  1  0.911  0.406  0.311  1.0
  Al  Al13  1  0.000  0.000  0.000  1.0
  Ru  Ru14  1  0.030  0.165  0.789  1.0
  Ru  Ru15  1  0.165  0.789  0.030  1.0
  Ru  Ru16  1  0.789  0.030  0.165  1.0
  Ru  Ru17  1  0.660  0.527  0.289  1.0
  Ru  Ru18  1  0.527  0.289  0.660  1.0
  Ru  Ru19  1  0.289  0.660  0.527  1.0
[/CIF]
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