The material structure described by Yb(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. Yb(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 Yb(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnYb2Mn2Al8 cuboctahedra that share corners with eight equivalent Al(2)Yb2Mn4Al6 cuboctahedra, corners with ten equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, edges with four equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, edges with four equivalent Al(2)Yb2Mn4Al6 cuboctahedra, faces with six equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, and faces with eight equivalent Al(2)Yb2Mn4Al6 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Yb(1), four equivalent Mn(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to two equivalent Yb(1), four equivalent Mn(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlYb2Mn4Al6 cuboctahedra that share corners with eight equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, corners with ten equivalent Al(2)Yb2Mn4Al6 cuboctahedra, edges with three equivalent Al(2)Yb2Mn4Al6 cuboctahedra, edges with four equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, faces with seven equivalent Al(2)Yb2Mn4Al6 cuboctahedra, and faces with eight equivalent Mn(1)Yb2Mn2Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   6.726
_cell_length_c   6.726
_cell_angle_alpha   81.494
_cell_angle_beta   67.381
_cell_angle_gamma   67.381
_symmetry_Int_Tables_number   1
_cell_volume   199.400
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.000  0.332  0.668  1.0
  Al  Al6  1  0.000  0.668  0.332  1.0
  Al  Al7  1  0.668  0.332  0.332  1.0
  Al  Al8  1  0.332  0.668  0.668  1.0
  Al  Al9  1  0.500  0.774  0.226  1.0
  Al  Al10  1  0.500  0.226  0.774  1.0
  Al  Al11  1  0.726  0.774  0.774  1.0
  Al  Al12  1  0.274  0.226  0.226  1.0
[/CIF]
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The material structure described by Yb(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. Yb(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 Yb(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnYb2Mn2Al8 cuboctahedra that share corners with eight equivalent Al(2)Yb2Mn4Al6 cuboctahedra, corners with ten equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, edges with four equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, edges with four equivalent Al(2)Yb2Mn4Al6 cuboctahedra, faces with six equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, and faces with eight equivalent Al(2)Yb2Mn4Al6 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Yb(1), four equivalent Mn(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to two equivalent Yb(1), four equivalent Mn(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlYb2Mn4Al6 cuboctahedra that share corners with eight equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, corners with ten equivalent Al(2)Yb2Mn4Al6 cuboctahedra, edges with three equivalent Al(2)Yb2Mn4Al6 cuboctahedra, edges with four equivalent Mn(1)Yb2Mn2Al8 cuboctahedra, faces with seven equivalent Al(2)Yb2Mn4Al6 cuboctahedra, and faces with eight equivalent Mn(1)Yb2Mn2Al8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   6.726
_cell_length_c   6.726
_cell_angle_alpha   81.494
_cell_angle_beta   67.381
_cell_angle_gamma   67.381
_symmetry_Int_Tables_number   1
_cell_volume   199.400
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.000  0.332  0.668  1.0
  Al  Al6  1  0.000  0.668  0.332  1.0
  Al  Al7  1  0.668  0.332  0.332  1.0
  Al  Al8  1  0.332  0.668  0.668  1.0
  Al  Al9  1  0.500  0.774  0.226  1.0
  Al  Al10  1  0.500  0.226  0.774  1.0
  Al  Al11  1  0.726  0.774  0.774  1.0
  Al  Al12  1  0.274  0.226  0.226  1.0
[/CIF]
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