The crystal structure described by Ce2Mo3Al41 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a 16-coordinate geometry to one Al(6), three equivalent Al(3), three equivalent Al(5), three equivalent Al(7), and six equivalent Al(4) atoms. Mo(1) is bonded to two equivalent Al(1), two equivalent Al(5), four equivalent Al(2), and four equivalent Al(4) atoms to form MoAl12 cuboctahedra that share corners with two equivalent Al(8)Al12 cuboctahedra, corners with four equivalent Mo(1)Al12 cuboctahedra, and edges with six equivalent Al(3)CeAl11 cuboctahedra. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Mo(1), one Al(5), one Al(8), two equivalent Al(4), and three equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a distorted linear geometry to two equivalent Mo(1), two equivalent Al(5), and four equivalent Al(4) atoms. In the third Al site, Al(6) is bonded in a linear geometry to two equivalent Ce(1) and twelve equivalent Al(4) atoms. In the fourth Al site, Al(7) is bonded in a distorted linear geometry to two equivalent Ce(1), four equivalent Al(3), four equivalent Al(4), and four equivalent Al(5) atoms. In the fifth Al site, Al(8) is bonded to six equivalent Al(1) and six equivalent Al(3) atoms to form AlAl12 cuboctahedra that share corners with six equivalent Mo(1)Al12 cuboctahedra and faces with six equivalent Al(3)CeAl11 cuboctahedra. In the sixth Al site, Al(3) is bonded to one Ce(1), one Al(5), one Al(8), two equivalent Al(3), two equivalent Al(4), two equivalent Al(7), and three equivalent Al(1) atoms to form distorted AlCeAl11 cuboctahedra that share corners with three equivalent Al(3)CeAl11 cuboctahedra, edges with two equivalent Al(3)CeAl11 cuboctahedra, edges with three equivalent Mo(1)Al12 cuboctahedra,  a faceface with one Al(8)Al12 cuboctahedra, and faces with four equivalent Al(3)CeAl11 cuboctahedra. In the seventh Al site, Al(4) is bonded in a 12-coordinate geometry to one Ce(1), one Mo(1), one Al(1), one Al(3), one Al(5), one Al(6), one Al(7), two equivalent Al(2), and three equivalent Al(4) atoms. In the eighth Al site, Al(5) is bonded in a 12-coordinate geometry to one Ce(1), one Mo(1), one Al(1), one Al(3), two equivalent Al(2), two equivalent Al(4), two equivalent Al(5), and two equivalent Al(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Al41Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.322
_cell_length_b   10.322
_cell_length_c   10.322
_cell_angle_alpha   60.262
_cell_angle_beta   60.262
_cell_angle_gamma   60.262
_symmetry_Int_Tables_number   1
_cell_volume   782.320
_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
  Ce  Ce0  1  0.125  0.125  0.125  1.0
  Ce  Ce1  1  0.875  0.875  0.875  1.0
  Al  Al2  1  0.761  0.488  0.488  1.0
  Al  Al3  1  0.487  0.762  0.762  1.0
  Al  Al4  1  0.488  0.488  0.761  1.0
  Al  Al5  1  0.762  0.762  0.487  1.0
  Al  Al6  1  0.762  0.487  0.762  1.0
  Al  Al7  1  0.488  0.761  0.488  1.0
  Al  Al8  1  0.239  0.512  0.512  1.0
  Al  Al9  1  0.513  0.238  0.238  1.0
  Al  Al10  1  0.512  0.512  0.239  1.0
  Al  Al11  1  0.238  0.238  0.513  1.0
  Al  Al12  1  0.238  0.513  0.238  1.0
  Al  Al13  1  0.512  0.239  0.512  1.0
  Al  Al14  1  0.325  0.793  0.325  1.0
  Al  Al15  1  0.057  0.325  0.793  1.0
  Al  Al16  1  0.793  0.325  0.057  1.0
  Al  Al17  1  0.325  0.056  0.325  1.0
  Al  Al18  1  0.325  0.793  0.057  1.0
  Al  Al19  1  0.793  0.325  0.325  1.0
  Al  Al20  1  0.056  0.325  0.325  1.0
  Al  Al21  1  0.325  0.057  0.793  1.0
  Al  Al22  1  0.057  0.793  0.325  1.0
  Al  Al23  1  0.325  0.325  0.056  1.0
  Al  Al24  1  0.325  0.325  0.793  1.0
  Al  Al25  1  0.793  0.057  0.325  1.0
  Al  Al26  1  0.675  0.207  0.675  1.0
  Al  Al27  1  0.943  0.675  0.207  1.0
  Al  Al28  1  0.207  0.675  0.943  1.0
  Al  Al29  1  0.675  0.944  0.675  1.0
  Al  Al30  1  0.675  0.207  0.943  1.0
  Al  Al31  1  0.207  0.675  0.675  1.0
  Al  Al32  1  0.944  0.675  0.675  1.0
  Al  Al33  1  0.675  0.943  0.207  1.0
  Al  Al34  1  0.943  0.207  0.675  1.0
  Al  Al35  1  0.675  0.675  0.944  1.0
  Al  Al36  1  0.675  0.675  0.207  1.0
  Al  Al37  1  0.207  0.943  0.675  1.0
  Al  Al38  1  0.000  0.000  0.000  1.0
  Al  Al39  1  0.500  0.000  0.000  1.0
  Al  Al40  1  0.000  0.000  0.500  1.0
  Al  Al41  1  0.000  0.500  0.000  1.0
  Al  Al42  1  0.500  0.500  0.500  1.0
  Mo  Mo43  1  0.000  0.500  0.500  1.0
  Mo  Mo44  1  0.500  0.500  0.000  1.0
  Mo  Mo45  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Ce2Mo3Al41 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a 16-coordinate geometry to one Al(6), three equivalent Al(3), three equivalent Al(5), three equivalent Al(7), and six equivalent Al(4) atoms. Mo(1) is bonded to two equivalent Al(1), two equivalent Al(5), four equivalent Al(2), and four equivalent Al(4) atoms to form MoAl12 cuboctahedra that share corners with two equivalent Al(8)Al12 cuboctahedra, corners with four equivalent Mo(1)Al12 cuboctahedra, and edges with six equivalent Al(3)CeAl11 cuboctahedra. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Mo(1), one Al(5), one Al(8), two equivalent Al(4), and three equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a distorted linear geometry to two equivalent Mo(1), two equivalent Al(5), and four equivalent Al(4) atoms. In the third Al site, Al(6) is bonded in a linear geometry to two equivalent Ce(1) and twelve equivalent Al(4) atoms. In the fourth Al site, Al(7) is bonded in a distorted linear geometry to two equivalent Ce(1), four equivalent Al(3), four equivalent Al(4), and four equivalent Al(5) atoms. In the fifth Al site, Al(8) is bonded to six equivalent Al(1) and six equivalent Al(3) atoms to form AlAl12 cuboctahedra that share corners with six equivalent Mo(1)Al12 cuboctahedra and faces with six equivalent Al(3)CeAl11 cuboctahedra. In the sixth Al site, Al(3) is bonded to one Ce(1), one Al(5), one Al(8), two equivalent Al(3), two equivalent Al(4), two equivalent Al(7), and three equivalent Al(1) atoms to form distorted AlCeAl11 cuboctahedra that share corners with three equivalent Al(3)CeAl11 cuboctahedra, edges with two equivalent Al(3)CeAl11 cuboctahedra, edges with three equivalent Mo(1)Al12 cuboctahedra,  a faceface with one Al(8)Al12 cuboctahedra, and faces with four equivalent Al(3)CeAl11 cuboctahedra. In the seventh Al site, Al(4) is bonded in a 12-coordinate geometry to one Ce(1), one Mo(1), one Al(1), one Al(3), one Al(5), one Al(6), one Al(7), two equivalent Al(2), and three equivalent Al(4) atoms. In the eighth Al site, Al(5) is bonded in a 12-coordinate geometry to one Ce(1), one Mo(1), one Al(1), one Al(3), two equivalent Al(2), two equivalent Al(4), two equivalent Al(5), and two equivalent Al(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Al41Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.322
_cell_length_b   10.322
_cell_length_c   10.322
_cell_angle_alpha   60.262
_cell_angle_beta   60.262
_cell_angle_gamma   60.262
_symmetry_Int_Tables_number   1
_cell_volume   782.320
_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
  Ce  Ce0  1  0.125  0.125  0.125  1.0
  Ce  Ce1  1  0.875  0.875  0.875  1.0
  Al  Al2  1  0.761  0.488  0.488  1.0
  Al  Al3  1  0.487  0.762  0.762  1.0
  Al  Al4  1  0.488  0.488  0.761  1.0
  Al  Al5  1  0.762  0.762  0.487  1.0
  Al  Al6  1  0.762  0.487  0.762  1.0
  Al  Al7  1  0.488  0.761  0.488  1.0
  Al  Al8  1  0.239  0.512  0.512  1.0
  Al  Al9  1  0.513  0.238  0.238  1.0
  Al  Al10  1  0.512  0.512  0.239  1.0
  Al  Al11  1  0.238  0.238  0.513  1.0
  Al  Al12  1  0.238  0.513  0.238  1.0
  Al  Al13  1  0.512  0.239  0.512  1.0
  Al  Al14  1  0.325  0.793  0.325  1.0
  Al  Al15  1  0.057  0.325  0.793  1.0
  Al  Al16  1  0.793  0.325  0.057  1.0
  Al  Al17  1  0.325  0.056  0.325  1.0
  Al  Al18  1  0.325  0.793  0.057  1.0
  Al  Al19  1  0.793  0.325  0.325  1.0
  Al  Al20  1  0.056  0.325  0.325  1.0
  Al  Al21  1  0.325  0.057  0.793  1.0
  Al  Al22  1  0.057  0.793  0.325  1.0
  Al  Al23  1  0.325  0.325  0.056  1.0
  Al  Al24  1  0.325  0.325  0.793  1.0
  Al  Al25  1  0.793  0.057  0.325  1.0
  Al  Al26  1  0.675  0.207  0.675  1.0
  Al  Al27  1  0.943  0.675  0.207  1.0
  Al  Al28  1  0.207  0.675  0.943  1.0
  Al  Al29  1  0.675  0.944  0.675  1.0
  Al  Al30  1  0.675  0.207  0.943  1.0
  Al  Al31  1  0.207  0.675  0.675  1.0
  Al  Al32  1  0.944  0.675  0.675  1.0
  Al  Al33  1  0.675  0.943  0.207  1.0
  Al  Al34  1  0.943  0.207  0.675  1.0
  Al  Al35  1  0.675  0.675  0.944  1.0
  Al  Al36  1  0.675  0.675  0.207  1.0
  Al  Al37  1  0.207  0.943  0.675  1.0
  Al  Al38  1  0.000  0.000  0.000  1.0
  Al  Al39  1  0.500  0.000  0.000  1.0
  Al  Al40  1  0.000  0.000  0.500  1.0
  Al  Al41  1  0.000  0.500  0.000  1.0
  Al  Al42  1  0.500  0.500  0.500  1.0
  Mo  Mo43  1  0.000  0.500  0.500  1.0
  Mo  Mo44  1  0.500  0.500  0.000  1.0
  Mo  Mo45  1  0.500  0.000  0.500  1.0
[/CIF]
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