The material described by YMn4Al8 crystallizes in the tetragonal I4/mmm space group. Y(1) is bonded in a 20-coordinate geometry to eight equivalent Mn(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Mn(1) is bonded to two equivalent Y(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted edge, corner, and face-sharing MnY2Mn2Al8 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Y(1), four equivalent Mn(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), four equivalent Mn(1), two equivalent Al(2), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   81.452
_cell_angle_beta   67.361
_cell_angle_gamma   67.361
_symmetry_Int_Tables_number   1
_cell_volume   202.633
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.342  0.658  0.658  1.0
  Al  Al6  1  1.000  0.342  0.658  1.0
  Al  Al7  1  0.000  0.658  0.342  1.0
  Al  Al8  1  0.658  0.342  0.342  1.0
  Al  Al9  1  0.274  0.226  0.226  1.0
  Al  Al10  1  0.500  0.774  0.226  1.0
  Al  Al11  1  0.500  0.226  0.774  1.0
  Al  Al12  1  0.726  0.774  0.774  1.0
[/CIF]
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The material described by YMn4Al8 crystallizes in the tetragonal I4/mmm space group. Y(1) is bonded in a 20-coordinate geometry to eight equivalent Mn(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Mn(1) is bonded to two equivalent Y(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted edge, corner, and face-sharing MnY2Mn2Al8 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Y(1), four equivalent Mn(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), four equivalent Mn(1), two equivalent Al(2), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   81.452
_cell_angle_beta   67.361
_cell_angle_gamma   67.361
_symmetry_Int_Tables_number   1
_cell_volume   202.633
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.342  0.658  0.658  1.0
  Al  Al6  1  1.000  0.342  0.658  1.0
  Al  Al7  1  0.000  0.658  0.342  1.0
  Al  Al8  1  0.658  0.342  0.342  1.0
  Al  Al9  1  0.274  0.226  0.226  1.0
  Al  Al10  1  0.500  0.774  0.226  1.0
  Al  Al11  1  0.500  0.226  0.774  1.0
  Al  Al12  1  0.726  0.774  0.774  1.0
[/CIF]
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