The material structure described by Al11Mn4 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to one Mn(1), one Al(4), one Al(5), two equivalent Al(2), three equivalent Al(3), and three equivalent Al(6) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to one Al(1), one Al(2), one Al(3), one Al(6), three equivalent Al(4), and three equivalent Al(5) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Mn(2), two equivalent Al(2), four equivalent Al(4), and four equivalent Al(5) atoms to form distorted edge-sharing AlMn2Al10 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Mn(2), two equivalent Mn(1), one Al(1), one Al(5), two equivalent Al(6), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one Mn(2), three equivalent Mn(1), one Al(4), one Al(5), three equivalent Al(2), and three equivalent Al(6) atoms. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(1), three equivalent Mn(2), one Al(3), one Al(4), one Al(6), two equivalent Al(1), and two equivalent Al(5) atoms. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), one Al(2), one Al(3), one Al(5), one Al(6), two equivalent Al(1), and two equivalent Al(4) atoms. In the sixth Al site, Al(6) is bonded in a 10-coordinate geometry to one Mn(2), three equivalent Mn(1), one Al(4), one Al(5), one Al(6), two equivalent Al(2), and three equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_Mn4Al11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   5.095
_cell_length_c   8.798
_cell_angle_alpha   74.656
_cell_angle_beta   88.020
_cell_angle_gamma   79.939
_symmetry_Int_Tables_number   1
_cell_volume   212.759
_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  0.677  0.136  0.403  1.0
  Mn  Mn1  1  0.323  0.864  0.597  1.0
  Mn  Mn2  1  0.337  0.611  0.129  1.0
  Mn  Mn3  1  0.663  0.389  0.871  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.067  0.844  0.318  1.0
  Al  Al6  1  0.933  0.156  0.682  1.0
  Al  Al7  1  0.160  0.301  0.378  1.0
  Al  Al8  1  0.154  0.541  0.874  1.0
  Al  Al9  1  0.846  0.459  0.126  1.0
  Al  Al10  1  0.524  0.894  0.873  1.0
  Al  Al11  1  0.476  0.106  0.127  1.0
  Al  Al12  1  0.413  0.342  0.632  1.0
  Al  Al13  1  0.587  0.658  0.368  1.0
  Al  Al14  1  0.840  0.699  0.622  1.0
[/CIF]
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The material structure described by Al11Mn4 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to one Mn(1), one Al(4), one Al(5), two equivalent Al(2), three equivalent Al(3), and three equivalent Al(6) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to one Al(1), one Al(2), one Al(3), one Al(6), three equivalent Al(4), and three equivalent Al(5) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Mn(2), two equivalent Al(2), four equivalent Al(4), and four equivalent Al(5) atoms to form distorted edge-sharing AlMn2Al10 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Mn(2), two equivalent Mn(1), one Al(1), one Al(5), two equivalent Al(6), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one Mn(2), three equivalent Mn(1), one Al(4), one Al(5), three equivalent Al(2), and three equivalent Al(6) atoms. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(1), three equivalent Mn(2), one Al(3), one Al(4), one Al(6), two equivalent Al(1), and two equivalent Al(5) atoms. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to one Mn(1), three equivalent Mn(2), one Al(2), one Al(3), one Al(5), one Al(6), two equivalent Al(1), and two equivalent Al(4) atoms. In the sixth Al site, Al(6) is bonded in a 10-coordinate geometry to one Mn(2), three equivalent Mn(1), one Al(4), one Al(5), one Al(6), two equivalent Al(2), and three equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_Mn4Al11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   5.095
_cell_length_c   8.798
_cell_angle_alpha   74.656
_cell_angle_beta   88.020
_cell_angle_gamma   79.939
_symmetry_Int_Tables_number   1
_cell_volume   212.759
_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  0.677  0.136  0.403  1.0
  Mn  Mn1  1  0.323  0.864  0.597  1.0
  Mn  Mn2  1  0.337  0.611  0.129  1.0
  Mn  Mn3  1  0.663  0.389  0.871  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.067  0.844  0.318  1.0
  Al  Al6  1  0.933  0.156  0.682  1.0
  Al  Al7  1  0.160  0.301  0.378  1.0
  Al  Al8  1  0.154  0.541  0.874  1.0
  Al  Al9  1  0.846  0.459  0.126  1.0
  Al  Al10  1  0.524  0.894  0.873  1.0
  Al  Al11  1  0.476  0.106  0.127  1.0
  Al  Al12  1  0.413  0.342  0.632  1.0
  Al  Al13  1  0.587  0.658  0.368  1.0
  Al  Al14  1  0.840  0.699  0.622  1.0
[/CIF]
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