The compound described by Ce3Co3Al4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to two equivalent Co(3), three equivalent Co(1), three equivalent Al(1), and three equivalent Al(4) atoms. In the second Ce site, Ce(2) is bonded in a distorted bent 150 degrees geometry to one Co(1), one Co(2), two equivalent Co(3), two equivalent Al(1), and two equivalent Al(3) atoms. In the third Ce site, Ce(3) is bonded in a 12-coordinate geometry to two equivalent Co(2), two equivalent Co(3), two equivalent Al(4), three equivalent Al(2), and three equivalent Al(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(2) is bonded in a 7-coordinate geometry to one Ce(2), two equivalent Ce(3), three equivalent Al(2), and three equivalent Al(3) atoms. In the second Co site, Co(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Al(1), one Al(3), and one Al(4) atom. In the third Co site, Co(1) is bonded in a 9-coordinate geometry to one Ce(2), three equivalent Ce(1), two equivalent Al(4), and three equivalent Al(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), one Co(3), three equivalent Co(1), one Al(4), and two equivalent Al(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Ce(3), three equivalent Co(2), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Ce(2), three equivalent Ce(3), one Co(3), three equivalent Co(2), and three equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to two equivalent Ce(3), three equivalent Ce(1), one Co(3), two equivalent Co(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Al4Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.187
_cell_length_b   24.276
_cell_length_c   7.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.997
_cell_formula_units_Z   4
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  0.962  0.351  1.0
  Ce  Ce1  1  0.250  0.038  0.649  1.0
  Ce  Ce2  1  0.250  0.538  0.851  1.0
  Ce  Ce3  1  0.750  0.462  0.149  1.0
  Ce  Ce4  1  0.750  0.867  0.973  1.0
  Ce  Ce5  1  0.250  0.133  0.027  1.0
  Ce  Ce6  1  0.250  0.633  0.473  1.0
  Ce  Ce7  1  0.750  0.367  0.527  1.0
  Ce  Ce8  1  0.750  0.828  0.467  1.0
  Ce  Ce9  1  0.250  0.172  0.533  1.0
  Ce  Ce10  1  0.250  0.672  0.967  1.0
  Ce  Ce11  1  0.750  0.328  0.033  1.0
  Al  Al12  1  0.750  0.537  0.512  1.0
  Al  Al13  1  0.250  0.463  0.488  1.0
  Al  Al14  1  0.250  0.963  0.012  1.0
  Al  Al15  1  0.750  0.037  0.988  1.0
  Al  Al16  1  0.750  0.715  0.271  1.0
  Al  Al17  1  0.250  0.285  0.729  1.0
  Al  Al18  1  0.250  0.785  0.771  1.0
  Al  Al19  1  0.750  0.215  0.229  1.0
  Al  Al20  1  0.750  0.713  0.670  1.0
  Al  Al21  1  0.250  0.287  0.330  1.0
  Al  Al22  1  0.250  0.787  0.170  1.0
  Al  Al23  1  0.750  0.213  0.830  1.0
  Al  Al24  1  0.750  0.592  0.147  1.0
  Al  Al25  1  0.250  0.408  0.853  1.0
  Al  Al26  1  0.250  0.908  0.647  1.0
  Al  Al27  1  0.750  0.092  0.353  1.0
  Co  Co28  1  0.750  0.948  0.796  1.0
  Co  Co29  1  0.250  0.052  0.204  1.0
  Co  Co30  1  0.250  0.552  0.296  1.0
  Co  Co31  1  0.750  0.448  0.704  1.0
  Co  Co32  1  0.750  0.771  0.970  1.0
  Co  Co33  1  0.250  0.229  0.030  1.0
  Co  Co34  1  0.250  0.729  0.470  1.0
  Co  Co35  1  0.750  0.271  0.530  1.0
  Co  Co36  1  0.750  0.610  0.777  1.0
  Co  Co37  1  0.250  0.390  0.223  1.0
  Co  Co38  1  0.250  0.890  0.277  1.0
  Co  Co39  1  0.750  0.110  0.723  1.0
[/CIF]
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The compound described by Ce3Co3Al4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to two equivalent Co(3), three equivalent Co(1), three equivalent Al(1), and three equivalent Al(4) atoms. In the second Ce site, Ce(2) is bonded in a distorted bent 150 degrees geometry to one Co(1), one Co(2), two equivalent Co(3), two equivalent Al(1), and two equivalent Al(3) atoms. In the third Ce site, Ce(3) is bonded in a 12-coordinate geometry to two equivalent Co(2), two equivalent Co(3), two equivalent Al(4), three equivalent Al(2), and three equivalent Al(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(2) is bonded in a 7-coordinate geometry to one Ce(2), two equivalent Ce(3), three equivalent Al(2), and three equivalent Al(3) atoms. In the second Co site, Co(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Al(1), one Al(3), and one Al(4) atom. In the third Co site, Co(1) is bonded in a 9-coordinate geometry to one Ce(2), three equivalent Ce(1), two equivalent Al(4), and three equivalent Al(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), one Co(3), three equivalent Co(1), one Al(4), and two equivalent Al(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Ce(3), three equivalent Co(2), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Ce(2), three equivalent Ce(3), one Co(3), three equivalent Co(2), and three equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to two equivalent Ce(3), three equivalent Ce(1), one Co(3), two equivalent Co(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Al4Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.187
_cell_length_b   24.276
_cell_length_c   7.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.997
_cell_formula_units_Z   4
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  0.962  0.351  1.0
  Ce  Ce1  1  0.250  0.038  0.649  1.0
  Ce  Ce2  1  0.250  0.538  0.851  1.0
  Ce  Ce3  1  0.750  0.462  0.149  1.0
  Ce  Ce4  1  0.750  0.867  0.973  1.0
  Ce  Ce5  1  0.250  0.133  0.027  1.0
  Ce  Ce6  1  0.250  0.633  0.473  1.0
  Ce  Ce7  1  0.750  0.367  0.527  1.0
  Ce  Ce8  1  0.750  0.828  0.467  1.0
  Ce  Ce9  1  0.250  0.172  0.533  1.0
  Ce  Ce10  1  0.250  0.672  0.967  1.0
  Ce  Ce11  1  0.750  0.328  0.033  1.0
  Al  Al12  1  0.750  0.537  0.512  1.0
  Al  Al13  1  0.250  0.463  0.488  1.0
  Al  Al14  1  0.250  0.963  0.012  1.0
  Al  Al15  1  0.750  0.037  0.988  1.0
  Al  Al16  1  0.750  0.715  0.271  1.0
  Al  Al17  1  0.250  0.285  0.729  1.0
  Al  Al18  1  0.250  0.785  0.771  1.0
  Al  Al19  1  0.750  0.215  0.229  1.0
  Al  Al20  1  0.750  0.713  0.670  1.0
  Al  Al21  1  0.250  0.287  0.330  1.0
  Al  Al22  1  0.250  0.787  0.170  1.0
  Al  Al23  1  0.750  0.213  0.830  1.0
  Al  Al24  1  0.750  0.592  0.147  1.0
  Al  Al25  1  0.250  0.408  0.853  1.0
  Al  Al26  1  0.250  0.908  0.647  1.0
  Al  Al27  1  0.750  0.092  0.353  1.0
  Co  Co28  1  0.750  0.948  0.796  1.0
  Co  Co29  1  0.250  0.052  0.204  1.0
  Co  Co30  1  0.250  0.552  0.296  1.0
  Co  Co31  1  0.750  0.448  0.704  1.0
  Co  Co32  1  0.750  0.771  0.970  1.0
  Co  Co33  1  0.250  0.229  0.030  1.0
  Co  Co34  1  0.250  0.729  0.470  1.0
  Co  Co35  1  0.750  0.271  0.530  1.0
  Co  Co36  1  0.750  0.610  0.777  1.0
  Co  Co37  1  0.250  0.390  0.223  1.0
  Co  Co38  1  0.250  0.890  0.277  1.0
  Co  Co39  1  0.750  0.110  0.723  1.0
[/CIF]
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