The material described by CeRuAl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to one Ru(2), four equivalent Ru(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and three equivalent Ru(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), one Al(1), and two equivalent Al(2) atoms. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to one Ce(1), three equivalent Ce(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1), one Ru(1), and three equivalent Ru(2) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to four equivalent Ce(1), two equivalent Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF file [CIF]
data_CeAlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   7.434
_cell_length_c   15.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.965
_cell_formula_units_Z   8
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  0.750  0.946  0.218  1.0
  Ce  Ce1  1  0.250  0.174  0.561  1.0
  Ce  Ce2  1  0.750  0.826  0.439  1.0
  Ce  Ce3  1  0.750  0.446  0.282  1.0
  Ce  Ce4  1  0.750  0.326  0.061  1.0
  Ce  Ce5  1  0.250  0.674  0.939  1.0
  Ce  Ce6  1  0.250  0.054  0.782  1.0
  Ce  Ce7  1  0.250  0.554  0.718  1.0
  Al  Al8  1  0.750  0.503  0.562  1.0
  Al  Al9  1  0.750  0.368  0.847  1.0
  Al  Al10  1  0.750  0.003  0.938  1.0
  Al  Al11  1  0.750  0.868  0.653  1.0
  Al  Al12  1  0.250  0.497  0.438  1.0
  Al  Al13  1  0.250  0.997  0.062  1.0
  Al  Al14  1  0.250  0.632  0.153  1.0
  Al  Al15  1  0.250  0.132  0.347  1.0
  Ru  Ru16  1  0.750  0.730  0.827  1.0
  Ru  Ru17  1  0.250  0.230  0.932  1.0
  Ru  Ru18  1  0.750  0.270  0.432  1.0
  Ru  Ru19  1  0.250  0.770  0.327  1.0
  Ru  Ru20  1  0.750  0.770  0.068  1.0
  Ru  Ru21  1  0.750  0.230  0.673  1.0
  Ru  Ru22  1  0.250  0.270  0.173  1.0
  Ru  Ru23  1  0.250  0.730  0.568  1.0
[/CIF]
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The material described by CeRuAl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to one Ru(2), four equivalent Ru(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and three equivalent Ru(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), one Al(1), and two equivalent Al(2) atoms. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to one Ce(1), three equivalent Ce(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1), one Ru(1), and three equivalent Ru(2) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to four equivalent Ce(1), two equivalent Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF file [CIF]
data_CeAlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   7.434
_cell_length_c   15.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.965
_cell_formula_units_Z   8
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  0.750  0.946  0.218  1.0
  Ce  Ce1  1  0.250  0.174  0.561  1.0
  Ce  Ce2  1  0.750  0.826  0.439  1.0
  Ce  Ce3  1  0.750  0.446  0.282  1.0
  Ce  Ce4  1  0.750  0.326  0.061  1.0
  Ce  Ce5  1  0.250  0.674  0.939  1.0
  Ce  Ce6  1  0.250  0.054  0.782  1.0
  Ce  Ce7  1  0.250  0.554  0.718  1.0
  Al  Al8  1  0.750  0.503  0.562  1.0
  Al  Al9  1  0.750  0.368  0.847  1.0
  Al  Al10  1  0.750  0.003  0.938  1.0
  Al  Al11  1  0.750  0.868  0.653  1.0
  Al  Al12  1  0.250  0.497  0.438  1.0
  Al  Al13  1  0.250  0.997  0.062  1.0
  Al  Al14  1  0.250  0.632  0.153  1.0
  Al  Al15  1  0.250  0.132  0.347  1.0
  Ru  Ru16  1  0.750  0.730  0.827  1.0
  Ru  Ru17  1  0.250  0.230  0.932  1.0
  Ru  Ru18  1  0.750  0.270  0.432  1.0
  Ru  Ru19  1  0.250  0.770  0.327  1.0
  Ru  Ru20  1  0.750  0.770  0.068  1.0
  Ru  Ru21  1  0.750  0.230  0.673  1.0
  Ru  Ru22  1  0.250  0.270  0.173  1.0
  Ru  Ru23  1  0.250  0.730  0.568  1.0
[/CIF]
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