The material structure described by Pr7Co6Al7 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to eight equivalent Al(3) atoms. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), four equivalent Co(2), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. In the third Pr site, Pr(3) is bonded in a 1-coordinate geometry to two equivalent Co(1), two equivalent Co(2), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), one Co(2), two equivalent Al(2), and two equivalent Al(3) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Pr(2), four equivalent Pr(3), one Al(2), and two equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Pr(2) and four equivalent Co(1) atoms to form distorted AlPr4Co4 cuboctahedra that share corners with eight equivalent Al(2)Pr5Al2Co5 cuboctahedra and faces with two equivalent Al(1)Pr4Co4 cuboctahedra. In the second Al site, Al(2) is bonded to one Pr(2), four equivalent Pr(3), one Co(1), four equivalent Co(2), and two equivalent Al(3) atoms to form distorted AlPr5Al2Co5 cuboctahedra that share corners with four equivalent Al(1)Pr4Co4 cuboctahedra and faces with two equivalent Al(2)Pr5Al2Co5 cuboctahedra. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Pr(2), two equivalent Pr(1), four equivalent Pr(3), two equivalent Co(2), and one Al(2) atom. is represented by the CIF card [CIF]
data_Pr7Al7Co6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.960
_cell_length_b   13.960
_cell_length_c   4.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   815.328
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.500  0.000  1.0
  Pr  Pr2  1  0.868  0.368  0.500  1.0
  Pr  Pr3  1  0.368  0.132  0.500  1.0
  Pr  Pr4  1  0.632  0.868  0.500  1.0
  Pr  Pr5  1  0.132  0.632  0.500  1.0
  Pr  Pr6  1  0.048  0.262  0.000  1.0
  Pr  Pr7  1  0.262  0.952  0.000  1.0
  Pr  Pr8  1  0.738  0.048  0.000  1.0
  Pr  Pr9  1  0.952  0.738  0.000  1.0
  Pr  Pr10  1  0.452  0.762  0.000  1.0
  Pr  Pr11  1  0.548  0.238  0.000  1.0
  Pr  Pr12  1  0.762  0.548  0.000  1.0
  Pr  Pr13  1  0.238  0.452  0.000  1.0
  Al  Al14  1  0.500  0.000  0.000  1.0
  Al  Al15  1  0.000  0.500  0.000  1.0
  Al  Al16  1  0.715  0.215  0.500  1.0
  Al  Al17  1  0.215  0.285  0.500  1.0
  Al  Al18  1  0.785  0.715  0.500  1.0
  Al  Al19  1  0.285  0.785  0.500  1.0
  Al  Al20  1  0.140  0.099  0.500  1.0
  Al  Al21  1  0.099  0.860  0.500  1.0
  Al  Al22  1  0.901  0.140  0.500  1.0
  Al  Al23  1  0.860  0.901  0.500  1.0
  Al  Al24  1  0.360  0.599  0.500  1.0
  Al  Al25  1  0.640  0.401  0.500  1.0
  Al  Al26  1  0.599  0.640  0.500  1.0
  Al  Al27  1  0.401  0.360  0.500  1.0
  Co  Co28  1  0.573  0.073  0.500  1.0
  Co  Co29  1  0.073  0.427  0.500  1.0
  Co  Co30  1  0.927  0.573  0.500  1.0
  Co  Co31  1  0.427  0.927  0.500  1.0
  Co  Co32  1  0.334  0.289  0.000  1.0
  Co  Co33  1  0.289  0.666  0.000  1.0
  Co  Co34  1  0.711  0.334  0.000  1.0
  Co  Co35  1  0.666  0.711  0.000  1.0
  Co  Co36  1  0.166  0.789  0.000  1.0
  Co  Co37  1  0.834  0.211  0.000  1.0
  Co  Co38  1  0.789  0.834  0.000  1.0
  Co  Co39  1  0.211  0.166  0.000  1.0
[/CIF]
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The material structure described by Pr7Co6Al7 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to eight equivalent Al(3) atoms. In the second Pr site, Pr(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), four equivalent Co(2), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. In the third Pr site, Pr(3) is bonded in a 1-coordinate geometry to two equivalent Co(1), two equivalent Co(2), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), one Co(2), two equivalent Al(2), and two equivalent Al(3) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Pr(2), four equivalent Pr(3), one Al(2), and two equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Pr(2) and four equivalent Co(1) atoms to form distorted AlPr4Co4 cuboctahedra that share corners with eight equivalent Al(2)Pr5Al2Co5 cuboctahedra and faces with two equivalent Al(1)Pr4Co4 cuboctahedra. In the second Al site, Al(2) is bonded to one Pr(2), four equivalent Pr(3), one Co(1), four equivalent Co(2), and two equivalent Al(3) atoms to form distorted AlPr5Al2Co5 cuboctahedra that share corners with four equivalent Al(1)Pr4Co4 cuboctahedra and faces with two equivalent Al(2)Pr5Al2Co5 cuboctahedra. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Pr(2), two equivalent Pr(1), four equivalent Pr(3), two equivalent Co(2), and one Al(2) atom. is represented by the CIF card [CIF]
data_Pr7Al7Co6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.960
_cell_length_b   13.960
_cell_length_c   4.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   815.328
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.500  0.000  1.0
  Pr  Pr2  1  0.868  0.368  0.500  1.0
  Pr  Pr3  1  0.368  0.132  0.500  1.0
  Pr  Pr4  1  0.632  0.868  0.500  1.0
  Pr  Pr5  1  0.132  0.632  0.500  1.0
  Pr  Pr6  1  0.048  0.262  0.000  1.0
  Pr  Pr7  1  0.262  0.952  0.000  1.0
  Pr  Pr8  1  0.738  0.048  0.000  1.0
  Pr  Pr9  1  0.952  0.738  0.000  1.0
  Pr  Pr10  1  0.452  0.762  0.000  1.0
  Pr  Pr11  1  0.548  0.238  0.000  1.0
  Pr  Pr12  1  0.762  0.548  0.000  1.0
  Pr  Pr13  1  0.238  0.452  0.000  1.0
  Al  Al14  1  0.500  0.000  0.000  1.0
  Al  Al15  1  0.000  0.500  0.000  1.0
  Al  Al16  1  0.715  0.215  0.500  1.0
  Al  Al17  1  0.215  0.285  0.500  1.0
  Al  Al18  1  0.785  0.715  0.500  1.0
  Al  Al19  1  0.285  0.785  0.500  1.0
  Al  Al20  1  0.140  0.099  0.500  1.0
  Al  Al21  1  0.099  0.860  0.500  1.0
  Al  Al22  1  0.901  0.140  0.500  1.0
  Al  Al23  1  0.860  0.901  0.500  1.0
  Al  Al24  1  0.360  0.599  0.500  1.0
  Al  Al25  1  0.640  0.401  0.500  1.0
  Al  Al26  1  0.599  0.640  0.500  1.0
  Al  Al27  1  0.401  0.360  0.500  1.0
  Co  Co28  1  0.573  0.073  0.500  1.0
  Co  Co29  1  0.073  0.427  0.500  1.0
  Co  Co30  1  0.927  0.573  0.500  1.0
  Co  Co31  1  0.427  0.927  0.500  1.0
  Co  Co32  1  0.334  0.289  0.000  1.0
  Co  Co33  1  0.289  0.666  0.000  1.0
  Co  Co34  1  0.711  0.334  0.000  1.0
  Co  Co35  1  0.666  0.711  0.000  1.0
  Co  Co36  1  0.166  0.789  0.000  1.0
  Co  Co37  1  0.834  0.211  0.000  1.0
  Co  Co38  1  0.789  0.834  0.000  1.0
  Co  Co39  1  0.211  0.166  0.000  1.0
[/CIF]
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