The compound described by CrMnAl24 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded in a cuboctahedral geometry to two equivalent Al(5), two equivalent Al(8), four equivalent Al(2), and four equivalent Al(3) atoms. Mn(1) is bonded in a cuboctahedral geometry to two equivalent Al(6), two equivalent Al(7), four equivalent Al(1), and four equivalent Al(4) atoms. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to one Mn(1), one Al(3), one Al(7), one Al(8), two equivalent Al(1), two equivalent Al(6), and three equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Cr(1), one Al(4), one Al(7), one Al(8), two equivalent Al(2), two equivalent Al(5), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to one Cr(1), one Al(1), one Al(3), one Al(4), one Al(7), one Al(8), two equivalent Al(5), and three equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(1), one Al(2), one Al(3), one Al(4), one Al(7), one Al(8), two equivalent Al(6), and three equivalent Al(1) atoms. In the fifth Al site, Al(5) is bonded in a 11-coordinate geometry to one Cr(1), one Al(7), one Al(8), four equivalent Al(2), and four equivalent Al(3) atoms. In the sixth Al site, Al(6) is bonded in a 11-coordinate geometry to one Mn(1), one Al(7), one Al(8), four equivalent Al(1), and four equivalent Al(4) atoms. In the seventh Al site, Al(7) is bonded in a 11-coordinate geometry to one Mn(1), one Al(5), one Al(6), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. In the eighth Al site, Al(8) is bonded in a 11-coordinate geometry to one Cr(1), one Al(5), one Al(6), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. is represented by the CIF file [CIF]
data_MnAl24Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.433
_cell_length_b   6.433
_cell_length_c   10.511
_cell_angle_alpha   89.863
_cell_angle_beta   89.863
_cell_angle_gamma   70.410
_symmetry_Int_Tables_number   1
_cell_volume   409.724
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.712  0.103  0.592  1.0
  Al  Al2  1  0.212  0.602  0.093  1.0
  Al  Al3  1  0.788  0.398  0.907  1.0
  Al  Al4  1  0.288  0.897  0.408  1.0
  Al  Al5  1  0.103  0.712  0.592  1.0
  Al  Al6  1  0.602  0.212  0.093  1.0
  Al  Al7  1  0.398  0.788  0.907  1.0
  Al  Al8  1  0.897  0.288  0.408  1.0
  Al  Al9  1  0.663  0.034  0.847  1.0
  Al  Al10  1  0.163  0.533  0.348  1.0
  Al  Al11  1  0.837  0.467  0.652  1.0
  Al  Al12  1  0.337  0.966  0.153  1.0
  Al  Al13  1  0.467  0.837  0.652  1.0
  Al  Al14  1  0.966  0.337  0.153  1.0
  Al  Al15  1  0.034  0.663  0.847  1.0
  Al  Al16  1  0.533  0.163  0.348  1.0
  Al  Al17  1  0.245  0.245  0.940  1.0
  Al  Al18  1  0.745  0.745  0.440  1.0
  Al  Al19  1  0.255  0.255  0.560  1.0
  Al  Al20  1  0.755  0.755  0.060  1.0
  Al  Al21  1  0.440  0.440  0.744  1.0
  Al  Al22  1  0.941  0.941  0.246  1.0
  Al  Al23  1  0.059  0.059  0.754  1.0
  Al  Al24  1  0.560  0.560  0.256  1.0
  Cr  Cr25  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by CrMnAl24 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded in a cuboctahedral geometry to two equivalent Al(5), two equivalent Al(8), four equivalent Al(2), and four equivalent Al(3) atoms. Mn(1) is bonded in a cuboctahedral geometry to two equivalent Al(6), two equivalent Al(7), four equivalent Al(1), and four equivalent Al(4) atoms. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to one Mn(1), one Al(3), one Al(7), one Al(8), two equivalent Al(1), two equivalent Al(6), and three equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Cr(1), one Al(4), one Al(7), one Al(8), two equivalent Al(2), two equivalent Al(5), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to one Cr(1), one Al(1), one Al(3), one Al(4), one Al(7), one Al(8), two equivalent Al(5), and three equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(1), one Al(2), one Al(3), one Al(4), one Al(7), one Al(8), two equivalent Al(6), and three equivalent Al(1) atoms. In the fifth Al site, Al(5) is bonded in a 11-coordinate geometry to one Cr(1), one Al(7), one Al(8), four equivalent Al(2), and four equivalent Al(3) atoms. In the sixth Al site, Al(6) is bonded in a 11-coordinate geometry to one Mn(1), one Al(7), one Al(8), four equivalent Al(1), and four equivalent Al(4) atoms. In the seventh Al site, Al(7) is bonded in a 11-coordinate geometry to one Mn(1), one Al(5), one Al(6), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. In the eighth Al site, Al(8) is bonded in a 11-coordinate geometry to one Cr(1), one Al(5), one Al(6), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(4) atoms. is represented by the CIF file [CIF]
data_MnAl24Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.433
_cell_length_b   6.433
_cell_length_c   10.511
_cell_angle_alpha   89.863
_cell_angle_beta   89.863
_cell_angle_gamma   70.410
_symmetry_Int_Tables_number   1
_cell_volume   409.724
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.712  0.103  0.592  1.0
  Al  Al2  1  0.212  0.602  0.093  1.0
  Al  Al3  1  0.788  0.398  0.907  1.0
  Al  Al4  1  0.288  0.897  0.408  1.0
  Al  Al5  1  0.103  0.712  0.592  1.0
  Al  Al6  1  0.602  0.212  0.093  1.0
  Al  Al7  1  0.398  0.788  0.907  1.0
  Al  Al8  1  0.897  0.288  0.408  1.0
  Al  Al9  1  0.663  0.034  0.847  1.0
  Al  Al10  1  0.163  0.533  0.348  1.0
  Al  Al11  1  0.837  0.467  0.652  1.0
  Al  Al12  1  0.337  0.966  0.153  1.0
  Al  Al13  1  0.467  0.837  0.652  1.0
  Al  Al14  1  0.966  0.337  0.153  1.0
  Al  Al15  1  0.034  0.663  0.847  1.0
  Al  Al16  1  0.533  0.163  0.348  1.0
  Al  Al17  1  0.245  0.245  0.940  1.0
  Al  Al18  1  0.745  0.745  0.440  1.0
  Al  Al19  1  0.255  0.255  0.560  1.0
  Al  Al20  1  0.755  0.755  0.060  1.0
  Al  Al21  1  0.440  0.440  0.744  1.0
  Al  Al22  1  0.941  0.941  0.246  1.0
  Al  Al23  1  0.059  0.059  0.754  1.0
  Al  Al24  1  0.560  0.560  0.256  1.0
  Cr  Cr25  1  0.000  0.000  0.000  1.0
[/CIF]
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