The material described by Ho(MnAl)6 crystallizes in the orthorhombic Immm space group. Ho(1) is bonded in a 20-coordinate geometry to four equivalent Mn(2), eight equivalent Mn(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to two equivalent Ho(1), two equivalent Mn(1), two equivalent Mn(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. In the second Mn site, Mn(2) is bonded to two equivalent Ho(1), four equivalent Mn(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing MnHo2Mn4Al6 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Ho(1), two equivalent Mn(2), four equivalent Mn(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to one Ho(1), two equivalent Mn(2), four equivalent Mn(1), one Al(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Ho(1), two equivalent Mn(2), four equivalent Mn(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho(MnAl)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.636
_cell_length_b   6.636
_cell_length_c   6.636
_cell_angle_alpha   136.356
_cell_angle_beta   99.144
_cell_angle_gamma   96.745
_symmetry_Int_Tables_number   1
_cell_volume   187.204
_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
  Ho  Ho0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.236  0.500  0.736  1.0
  Mn  Mn6  1  0.764  0.500  0.264  1.0
  Al  Al7  1  0.346  0.346  0.000  1.0
  Al  Al8  1  0.654  0.654  0.000  1.0
  Al  Al9  1  0.661  0.000  0.661  1.0
  Al  Al10  1  0.339  0.000  0.339  1.0
  Al  Al11  1  0.803  0.303  0.500  1.0
  Al  Al12  1  0.197  0.697  0.500  1.0
[/CIF]
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The material described by Ho(MnAl)6 crystallizes in the orthorhombic Immm space group. Ho(1) is bonded in a 20-coordinate geometry to four equivalent Mn(2), eight equivalent Mn(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to two equivalent Ho(1), two equivalent Mn(1), two equivalent Mn(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. In the second Mn site, Mn(2) is bonded to two equivalent Ho(1), four equivalent Mn(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing MnHo2Mn4Al6 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Ho(1), two equivalent Mn(2), four equivalent Mn(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to one Ho(1), two equivalent Mn(2), four equivalent Mn(1), one Al(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Ho(1), two equivalent Mn(2), four equivalent Mn(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho(MnAl)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.636
_cell_length_b   6.636
_cell_length_c   6.636
_cell_angle_alpha   136.356
_cell_angle_beta   99.144
_cell_angle_gamma   96.745
_symmetry_Int_Tables_number   1
_cell_volume   187.204
_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
  Ho  Ho0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.236  0.500  0.736  1.0
  Mn  Mn6  1  0.764  0.500  0.264  1.0
  Al  Al7  1  0.346  0.346  0.000  1.0
  Al  Al8  1  0.654  0.654  0.000  1.0
  Al  Al9  1  0.661  0.000  0.661  1.0
  Al  Al10  1  0.339  0.000  0.339  1.0
  Al  Al11  1  0.803  0.303  0.500  1.0
  Al  Al12  1  0.197  0.697  0.500  1.0
[/CIF]
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