data_Al13Co4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   12.4
_cell_angle_alpha   105.53
_cell_angle_beta   105.53
_cell_angle_gamma   56.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al13Co4
_chemical_formula_sum   'Al39 Co12'
_cell_volume   732.82
_cell_formula_units_Z   3
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
  Al  Al0  1  0.03  0.2  0.04  1.0
  Al  Al1  1  0.03  0.8  0.04  1.0
  Al  Al2  1  0.68  0.05  0.91  1.0
  Al  Al3  1  0.68  0.95  0.91  1.0
  Al  Al4  1  0.33  0.2  0.78  1.0
  Al  Al5  1  0.33  0.8  0.78  1.0
  Al  Al6  1  0.3  0.35  0.21  1.0
  Al  Al7  1  0.3  0.65  0.21  1.0
  Al  Al8  1  0.8  0.3  0.56  1.0
  Al  Al9  1  0.8  0.7  0.56  1.0
  Al  Al10  1  0.24  0.81  0.99  1.0
  Al  Al11  1  0.24  0.19  0.99  1.0
  Al  Al12  1  0.31  0.81  0.57  1.0
  Al  Al13  1  0.31  0.19  0.57  1.0
  Al  Al14  1  0.04  0.19  0.25  1.0
  Al  Al15  1  0.04  0.81  0.25  1.0
  Al  Al16  1  0.12  0.19  0.82  1.0
  Al  Al17  1  0.12  0.81  0.82  1.0
  Al  Al18  1  0.05  0.65  0.6  1.0
  Al  Al19  1  0.05  0.35  0.6  1.0
  Al  Al20  1  0.56  0.7  0.26  1.0
  Al  Al21  1  0.56  0.3  0.26  1.0
  Al  Al22  1  0.94  0.0  0.43  1.0
  Al  Al23  1  0.43  0.0  0.97  1.0
  Al  Al24  1  0.0  0.0  0.96  1.0
  Al  Al25  1  0.36  0.0  0.86  1.0
  Al  Al26  1  0.93  0.0  0.84  1.0
  Al  Al27  1  0.42  0.0  0.38  1.0
  Al  Al28  1  0.25  0.0  0.59  1.0
  Al  Al29  1  0.9  0.0  0.15  1.0
  Al  Al30  1  0.41  0.0  0.67  1.0
  Al  Al31  1  0.79  0.0  0.54  1.0
  Al  Al32  1  0.85  0.0  0.92  1.0
  Al  Al33  1  0.0  0.0  0.0  1.0
  Al  Al34  1  0.5  0.0  0.9  1.0
  Al  Al35  1  0.57  0.0  0.27  1.0
  Al  Al36  1  0.95  0.0  0.14  1.0
  Al  Al37  1  0.46  0.0  0.67  1.0
  Al  Al38  1  0.1  0.0  0.22  1.0
  Co  Co39  1  0.94  0.83  0.2  1.0
  Co  Co40  1  0.94  0.17  0.2  1.0
  Co  Co41  1  0.41  0.17  0.61  1.0
  Co  Co42  1  0.41  0.83  0.61  1.0
  Co  Co43  1  0.11  0.0  0.72  1.0
  Co  Co44  1  0.48  0.0  0.45  1.0
  Co  Co45  1  0.87  0.0  0.36  1.0
  Co  Co46  1  0.24  0.0  0.09  1.0
  Co  Co47  1  0.24  0.0  0.35  1.0
  Co  Co48  1  0.56  0.0  0.12  1.0
  Co  Co49  1  0.8  0.0  0.69  1.0
  Co  Co50  1  0.11  0.0  0.47  1.0

data_Al13Co4
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.2
_cell_length_b   8.61
_cell_length_c   12.4
_cell_angle_alpha   105.53
_cell_angle_beta   90.0
_cell_angle_gamma   118.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al13Co4
_chemical_formula_sum   'Al39 Co12'
_cell_volume   732.82
_cell_formula_units_Z   3
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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.05  0.86  1.0
  Al  Al2  1  0.0  0.06  0.57  1.0
  Al  Al3  1  0.0  0.07  0.16  1.0
  Al  Al4  1  0.0  0.1  0.85  1.0
  Al  Al5  1  0.0  0.15  0.08  1.0
  Al  Al6  1  0.0  0.21  0.46  1.0
  Al  Al7  1  0.0  0.43  0.73  1.0
  Al  Al8  1  0.0  0.5  0.1  1.0
  Al  Al9  1  0.0  0.54  0.33  1.0
  Al  Al10  1  0.0  0.57  0.03  1.0
  Al  Al11  1  0.0  0.58  0.62  1.0
  Al  Al12  1  0.0  0.59  0.33  1.0
  Al  Al13  1  0.0  0.64  0.14  1.0
  Al  Al14  1  0.0  0.75  0.41  1.0
  Al  Al15  1  0.0  0.9  0.78  1.0
  Al  Al16  1  0.0  1.0  0.04  1.0
  Al  Al17  1  0.05  0.37  0.09  1.0
  Al  Al18  1  0.19  0.14  0.75  1.0
  Al  Al19  1  0.19  0.88  0.43  1.0
  Al  Al20  1  0.19  0.07  0.18  1.0
  Al  Al21  1  0.19  0.95  0.01  1.0
  Al  Al22  1  0.2  0.17  0.96  1.0
  Al  Al23  1  0.2  0.88  0.22  1.0
  Al  Al24  1  0.3  0.51  0.44  1.0
  Al  Al25  1  0.3  0.75  0.74  1.0
  Al  Al26  1  0.35  0.05  0.79  1.0
  Al  Al27  1  0.35  0.3  0.4  1.0
  Al  Al28  1  0.65  0.34  0.79  1.0
  Al  Al29  1  0.65  0.59  0.4  1.0
  Al  Al30  1  0.7  0.14  0.74  1.0
  Al  Al31  1  0.7  0.9  0.44  1.0
  Al  Al32  1  0.8  0.47  0.22  1.0
  Al  Al33  1  0.8  0.77  0.96  1.0
  Al  Al34  1  0.81  0.57  0.01  1.0
  Al  Al35  1  0.81  0.69  0.18  1.0
  Al  Al36  1  0.81  0.5  0.43  1.0
  Al  Al37  1  0.81  0.77  0.75  1.0
  Al  Al38  1  0.95  0.27  0.09  1.0
  Co  Co39  1  0.0  0.13  0.64  1.0
  Co  Co40  1  0.0  0.2  0.31  1.0
  Co  Co41  1  0.0  0.44  0.88  1.0
  Co  Co42  1  0.0  0.52  0.55  1.0
  Co  Co43  1  0.0  0.76  0.91  1.0
  Co  Co44  1  0.0  0.76  0.65  1.0
  Co  Co45  1  0.0  0.89  0.53  1.0
  Co  Co46  1  0.0  0.89  0.28  1.0
  Co  Co47  1  0.17  0.23  0.8  1.0
  Co  Co48  1  0.17  0.76  0.39  1.0
  Co  Co49  1  0.83  0.41  0.39  1.0
  Co  Co50  1  0.83  0.88  0.8  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Co Co Co Co Co Co Co Co Co Co Co Co
Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Co Co Co Co Co Co Co Co Co Co Co Co 0 24 o o - 0 33 o o o 0 11 o o - 0 46 o o o 1 32 - + - 1 29 - + o 1 33 o + o 1 24 o + - 1 10 o o - 1 36 - + o 2 3 o - o 2 32 o o o 3 34 o + o 4 30 o o o 4 25 o o o 4 16 o o o 4 41 o o o 4 37 o o o 4 34 o o o 5 43 o + o 5 17 o o o 5 25 o + o 6 21 o o o 6 7 o o o 7 38 o + o 7 15 o o o 7 39 - o o 7 21 o o o 7 20 o o o 8 45 o o o 8 22 o o o 8 31 o o o 8 50 + o o 8 19 + o o 9 18 + o o 9 19 + o o 10 24 o + o 10 17 o o o 10 33 o + + 10 46 o + + 11 23 o o o 11 16 o o o 12 42 o o o 12 28 o + o 13 41 o o o 13 19 o o o 14 40 - o o 14 38 o o o 15 39 - o o 16 43 o o o 16 25 o o o 17 26 - + o 18 19 o o o 19 41 o o o 19 28 o o o 20 47 o + o 20 35 o + o 20 44 o + o 20 27 o + o 22 45 o o o 22 31 o o o 22 50 + o o 23 25 o o o 23 34 o o o 23 48 o o + 24 33 o o + 24 26 - o o 24 32 - o o 25 34 o o o 26 32 o o o 26 49 o o o 27 44 o o o 27 35 o o o 27 47 o o o 28 42 o - o 28 30 o o o 28 50 o o o 29 36 o o o 30 37 o o o 31 49 o o o 32 33 + o + 33 46 o o o 35 48 o o o 36 38 + o o 38 40 - o o 38 47 o o o 
Al13Co4 crystallizes in the triclinic P1 space group. There are twelve inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted water-like geometry to one Al(16) and one Al(30) atom. The Co(1)-Al(16) bond length is 0.84 Å. The Co(1)-Al(30) bond length is 1.62 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Al(15), one Al(22), one Al(37), and one Al(39) atom. The Co(2)-Al(15) bond length is 0.93 Å. The Co(2)-Al(22) bond length is 3.08 Å. The Co(2)-Al(37) bond length is 1.48 Å. The Co(2)-Al(39) bond length is 1.40 Å. In the third Co site, Co(3) is bonded in a distorted water-like geometry to one Al(14) and one Al(38) atom. The Co(3)-Al(14) bond length is 0.84 Å. The Co(3)-Al(38) bond length is 1.62 Å. In the fourth Co site, Co(4) is bonded in a 3-coordinate geometry to one Al(10), one Al(13), one Al(29), and one Al(31) atom. The Co(4)-Al(10) bond length is 3.08 Å. The Co(4)-Al(13) bond length is 0.93 Å. The Co(4)-Al(29) bond length is 1.40 Å. The Co(4)-Al(31) bond length is 1.48 Å. In the fifth Co site, Co(5) is bonded in a 2-coordinate geometry to one Al(17), one Al(27), one Al(29), one Al(6), and one Al(9) atom. The Co(5)-Al(17) bond length is 1.76 Å. The Co(5)-Al(27) bond length is 2.44 Å. The Co(5)-Al(29) bond length is 2.27 Å. The Co(5)-Al(6) bond length is 1.83 Å. The Co(5)-Al(9) bond length is 3.27 Å. In the sixth Co site, Co(6) is bonded in a single-bond geometry to one Al(10) and one Al(23,28) atom. The Co(6)-Al(10) bond length is 2.83 Å. The Co(6)-Al(23,28) bond length is 0.91 Å. In the seventh Co site, Co(7) is bonded in a single-bond geometry to one Al(22) and one Al(23,28) atom. The Co(7)-Al(22) bond length is 2.83 Å. The Co(7)-Al(23,28) bond length is 0.91 Å. In the eighth Co site, Co(8) is bonded in a 2-coordinate geometry to one Al(1), one Al(11), one Al(21), one Al(24), and one Al(39) atom. The Co(8)-Al(1) bond length is 1.83 Å. The Co(8)-Al(11) bond length is 1.76 Å. The Co(8)-Al(21) bond length is 3.27 Å. The Co(8)-Al(24) bond length is 2.44 Å. The Co(8)-Al(39) bond length is 2.27 Å. In the ninth Co site, Co(9) is bonded in a 2-coordinate geometry to one Al(21); one Al(23,28); one Al(39); and one Al(8) atom. The Co(9)-Al(21) bond length is 2.79 Å. The Co(9)-Al(23,28) bond length is 1.46 Å. The Co(9)-Al(39) bond length is 1.69 Å. The Co(9)-Al(8) bond length is 2.89 Å. In the tenth Co site, Co(10) is bonded in a distorted bent 150 degrees geometry to one Al(22), one Al(24), and one Al(36) atom. The Co(10)-Al(22) bond length is 2.72 Å. The Co(10)-Al(24) bond length is 1.90 Å. The Co(10)-Al(36) bond length is 1.83 Å. In the eleventh Co site, Co(11) is bonded in a distorted bent 150 degrees geometry to one Al(10), one Al(27), and one Al(32) atom. The Co(11)-Al(10) bond length is 2.72 Å. The Co(11)-Al(27) bond length is 1.90 Å. The Co(11)-Al(32) bond length is 1.83 Å. In the twelfth Co site, Co(12) is bonded in a 2-coordinate geometry to one Al(20); one Al(23,28); one Al(29); and one Al(9) atom. The Co(12)-Al(20) bond length is 2.89 Å. The Co(12)-Al(23,28) bond length is 1.46 Å. The Co(12)-Al(29) bond length is 1.69 Å. The Co(12)-Al(9) bond length is 2.79 Å. There are thirty-eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Co(8) atom. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Al(34), one Al(37), and one Al(8) atom. The Al(2)-Al(34) bond length is 1.78 Å. The Al(2)-Al(37) bond length is 1.79 Å. The Al(2)-Al(8) bond length is 2.75 Å. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one Al(33) and one Al(4) atom. The Al(3)-Al(33) bond length is 1.31 Å. The Al(3)-Al(4) bond length is 0.85 Å. In the fourth Al site, Al(4) is bonded in a distorted single-bond geometry to one Al(3) and one Al(35) atom. The Al(4)-Al(35) bond length is 1.31 Å. In the fifth Al site, Al(5) is bonded in a 1-coordinate geometry to one Al(20) and one Al(31) atom. The Al(5)-Al(20) bond length is 2.75 Å. The Al(5)-Al(31) bond length is 1.79 Å. In the sixth Al site, Al(6) is bonded in a 1-coordinate geometry to one Co(5) and one Al(26) atom. The Al(6)-Al(26) bond length is 1.87 Å. In the seventh Al site, Al(7) is bonded in a 1-coordinate geometry to one Al(22) and one Al(8) atom. The Al(7)-Al(22) bond length is 1.93 Å. The Al(7)-Al(8) bond length is 2.50 Å. In the eighth Al site, Al(8) is bonded in a 7-coordinate geometry to one Co(9), one Al(16), one Al(2), one Al(21), one Al(22), one Al(39), and one Al(7) atom. The Al(8)-Al(16) bond length is 1.96 Å. The Al(8)-Al(21) bond length is 2.36 Å. The Al(8)-Al(22) bond length is 2.62 Å. The Al(8)-Al(39) bond length is 2.55 Å. In the ninth Al site, Al(9) is bonded in a 5-coordinate geometry to one Co(12); one Co(5); one Al(20); one Al(23,28); and one Al(32) atom. The Al(9)-Al(20) bond length is 2.36 Å. The Al(9)-Al(23,28) bond length is 2.46 Å. The Al(9)-Al(32) bond length is 2.63 Å. In the tenth Al site, Al(10) is bonded in a 7-coordinate geometry to one Co(11), one Co(4), one Co(6), one Al(19), one Al(20), one Al(32), and one Al(38) atom. The Al(10)-Al(19) bond length is 1.93 Å. The Al(10)-Al(20) bond length is 2.62 Å. The Al(10)-Al(32) bond length is 2.62 Å. The Al(10)-Al(38) bond length is 3.01 Å. In the eleventh Al site, Al(11) is bonded in a distorted single-bond geometry to one Co(8) atom. In the twelfth Al site, Al(12) is bonded in a 1-coordinate geometry to one Al(24) atom. The Al(12)-Al(24) bond length is 1.57 Å. In the thirteenth Al site, Al(13) is bonded in a distorted single-bond geometry to one Co(4) and one Al(29) atom. The Al(13)-Al(29) bond length is 1.38 Å. In the fourteenth Al site, Al(14) is bonded in a single-bond geometry to one Co(3) and one Al(20) atom. The Al(14)-Al(20) bond length is 1.96 Å. In the fifteenth Al site, Al(15) is bonded in a distorted single-bond geometry to one Co(2) and one Al(39) atom. The Al(15)-Al(39) bond length is 1.38 Å. In the sixteenth Al site, Al(16) is bonded in a single-bond geometry to one Co(1) and one Al(8) atom. In the seventeenth Al site, Al(17) is bonded in a 1-coordinate geometry to one Co(5) and one Al(26) atom. The Al(17)-Al(26) bond length is 1.82 Å. In the eighteenth Al site, Al(18) is bonded in a 1-coordinate geometry to one Al(27) atom. The Al(18)-Al(27) bond length is 1.57 Å. In the nineteenth Al site, Al(19) is bonded in a 1-coordinate geometry to one Al(10) and one Al(20) atom. The Al(19)-Al(20) bond length is 2.50 Å. In the twentieth Al site, Al(20) is bonded in a 7-coordinate geometry to one Co(12), one Al(10), one Al(14), one Al(19), one Al(29), one Al(5), and one Al(9) atom. The Al(20)-Al(29) bond length is 2.55 Å. In the twenty-first Al site, Al(21) is bonded in a 5-coordinate geometry to one Co(8); one Co(9); one Al(23,28); one Al(36); and one Al(8) atom. The Al(21)-Al(23,28) bond length is 2.46 Å. The Al(21)-Al(36) bond length is 2.63 Å. In the twenty-second Al site, Al(22) is bonded in a 7-coordinate geometry to one Co(10), one Co(2), one Co(7), one Al(30), one Al(36), one Al(7), and one Al(8) atom. The Al(22)-Al(30) bond length is 3.01 Å. The Al(22)-Al(36) bond length is 2.62 Å. In the twenty-third Al site, Al(23,28) is bonded in a distorted bent 120 degrees geometry to one Co(12), one Co(7), and one Al(9) atom. In the twenty-fourth Al site, Al(24) is bonded in a 5-coordinate geometry to one Co(10), one Co(8), one Al(12), one Al(26), and one Al(35) atom. The Al(24)-Al(26) bond length is 1.40 Å. The Al(24)-Al(35) bond length is 1.27 Å. In the twenty-fifth Al site, Al(25) is bonded in a single-bond geometry to one Al(27), one Al(33), and one Al(34) atom. The Al(25)-Al(27) bond length is 1.40 Å. The Al(25)-Al(33) bond length is 1.23 Å. The Al(25)-Al(34) bond length is 0.52 Å. In the twenty-sixth Al site, Al(26) is bonded in a 4-coordinate geometry to one Al(17), one Al(24), one Al(35), and one Al(6) atom. The Al(26)-Al(35) bond length is 1.23 Å. In the twenty-seventh Al site, Al(27) is bonded in a 5-coordinate geometry to one Co(11), one Co(5), one Al(18), one Al(25), and one Al(33) atom. The Al(27)-Al(33) bond length is 1.27 Å. In the twenty-eighth Al site, Al(29) is bonded in a 5-coordinate geometry to one Co(12), one Co(4), one Co(5), one Al(13), one Al(20), and one Al(31) atom. The Al(29)-Al(31) bond length is 1.42 Å. In the twenty-ninth Al site, Al(30) is bonded in a distorted single-bond geometry to one Co(1), one Al(22), and one Al(37) atom. The Al(30)-Al(37) bond length is 0.48 Å. In the thirtieth Al site, Al(31) is bonded in a distorted single-bond geometry to one Co(4), one Al(29), one Al(38), and one Al(5) atom. The Al(31)-Al(38) bond length is 0.48 Å. In the thirty-first Al site, Al(32) is bonded in a distorted single-bond geometry to one Co(11), one Al(10), and one Al(9) atom. In the thirty-second Al site, Al(33) is bonded in a 3-coordinate geometry to one Al(25), one Al(27), and one Al(3) atom. In the thirty-third Al site, Al(34) is bonded in a single-bond geometry to one Al(2) and one Al(25) atom. In the thirty-fourth Al site, Al(35) is bonded in a 3-coordinate geometry to one Al(24), one Al(26), and one Al(4) atom. In the thirty-fifth Al site, Al(36) is bonded in a distorted single-bond geometry to one Co(10), one Al(21), and one Al(22) atom. In the thirty-sixth Al site, Al(37) is bonded in a distorted single-bond geometry to one Co(2), one Al(2), one Al(30), and one Al(39) atom. The Al(37)-Al(39) bond length is 1.42 Å. In the thirty-seventh Al site, Al(38) is bonded in a distorted single-bond geometry to one Co(3), one Al(10), and one Al(31) atom. In the thirty-eighth Al site, Al(39) is bonded in a 5-coordinate geometry to one Co(2), one Co(8), one Co(9), one Al(15), one Al(37), and one Al(8) atom.