The material described by CeRhAl 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 two equivalent Rh(2), three equivalent Rh(1), three equivalent Al(1), and three equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Rh(1) and four equivalent Rh(2) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to one Ce(2), three equivalent Ce(1), two equivalent Al(1), and three equivalent Al(2) atoms. In the second Rh site, Rh(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Al(2), and two 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 three equivalent Ce(1), two equivalent Rh(1), and two equivalent Rh(2) atoms. In the second Al site, Al(2) is bonded to three equivalent Ce(1), one Rh(2), and three equivalent Rh(1) atoms to form a mixture of distorted face and edge-sharing AlCe3Rh4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.220
_cell_length_b   7.133
_cell_length_c   15.795
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.417
_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  0.250  0.156  0.560  1.0
  Ce  Ce1  1  0.750  0.844  0.440  1.0
  Ce  Ce2  1  0.250  0.656  0.940  1.0
  Ce  Ce3  1  0.750  0.344  0.060  1.0
  Ce  Ce4  1  0.250  0.029  0.780  1.0
  Ce  Ce5  1  0.750  0.971  0.220  1.0
  Ce  Ce6  1  0.250  0.529  0.720  1.0
  Ce  Ce7  1  0.750  0.471  0.280  1.0
  Al  Al8  1  0.250  0.146  0.350  1.0
  Al  Al9  1  0.750  0.854  0.650  1.0
  Al  Al10  1  0.250  0.646  0.150  1.0
  Al  Al11  1  0.750  0.354  0.850  1.0
  Al  Al12  1  0.250  0.006  0.061  1.0
  Al  Al13  1  0.750  0.994  0.939  1.0
  Al  Al14  1  0.250  0.506  0.439  1.0
  Al  Al15  1  0.750  0.494  0.561  1.0
  Rh  Rh16  1  0.750  0.286  0.424  1.0
  Rh  Rh17  1  0.250  0.714  0.576  1.0
  Rh  Rh18  1  0.750  0.786  0.076  1.0
  Rh  Rh19  1  0.250  0.214  0.924  1.0
  Rh  Rh20  1  0.750  0.736  0.817  1.0
  Rh  Rh21  1  0.250  0.264  0.183  1.0
  Rh  Rh22  1  0.750  0.236  0.683  1.0
  Rh  Rh23  1  0.250  0.764  0.317  1.0
[/CIF]
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The material described by CeRhAl 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 two equivalent Rh(2), three equivalent Rh(1), three equivalent Al(1), and three equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Rh(1) and four equivalent Rh(2) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to one Ce(2), three equivalent Ce(1), two equivalent Al(1), and three equivalent Al(2) atoms. In the second Rh site, Rh(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Al(2), and two 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 three equivalent Ce(1), two equivalent Rh(1), and two equivalent Rh(2) atoms. In the second Al site, Al(2) is bonded to three equivalent Ce(1), one Rh(2), and three equivalent Rh(1) atoms to form a mixture of distorted face and edge-sharing AlCe3Rh4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.220
_cell_length_b   7.133
_cell_length_c   15.795
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.417
_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  0.250  0.156  0.560  1.0
  Ce  Ce1  1  0.750  0.844  0.440  1.0
  Ce  Ce2  1  0.250  0.656  0.940  1.0
  Ce  Ce3  1  0.750  0.344  0.060  1.0
  Ce  Ce4  1  0.250  0.029  0.780  1.0
  Ce  Ce5  1  0.750  0.971  0.220  1.0
  Ce  Ce6  1  0.250  0.529  0.720  1.0
  Ce  Ce7  1  0.750  0.471  0.280  1.0
  Al  Al8  1  0.250  0.146  0.350  1.0
  Al  Al9  1  0.750  0.854  0.650  1.0
  Al  Al10  1  0.250  0.646  0.150  1.0
  Al  Al11  1  0.750  0.354  0.850  1.0
  Al  Al12  1  0.250  0.006  0.061  1.0
  Al  Al13  1  0.750  0.994  0.939  1.0
  Al  Al14  1  0.250  0.506  0.439  1.0
  Al  Al15  1  0.750  0.494  0.561  1.0
  Rh  Rh16  1  0.750  0.286  0.424  1.0
  Rh  Rh17  1  0.250  0.714  0.576  1.0
  Rh  Rh18  1  0.750  0.786  0.076  1.0
  Rh  Rh19  1  0.250  0.214  0.924  1.0
  Rh  Rh20  1  0.750  0.736  0.817  1.0
  Rh  Rh21  1  0.250  0.264  0.183  1.0
  Rh  Rh22  1  0.750  0.236  0.683  1.0
  Rh  Rh23  1  0.250  0.764  0.317  1.0
[/CIF]
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