The crystal structure described by Tb(MnAl)6 crystallizes in the orthorhombic Immm space group. Tb(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 to two equivalent Tb(1), two equivalent Mn(1), two equivalent Mn(2), 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 MnTb2Mn4Al6 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Tb(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 MnTb2Mn4Al6 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Tb(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 Tb(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 Tb(1), two equivalent Mn(2), four equivalent Mn(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Tb(MnAl)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.631
_cell_angle_alpha   136.427
_cell_angle_beta   99.114
_cell_angle_gamma   96.725
_symmetry_Int_Tables_number   1
_cell_volume   186.542
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.764  0.500  0.264  1.0
  Mn  Mn6  1  0.236  0.500  0.736  1.0
  Al  Al7  1  0.653  0.653  0.000  1.0
  Al  Al8  1  0.347  0.347  0.000  1.0
  Al  Al9  1  0.339  0.000  0.339  1.0
  Al  Al10  1  0.661  0.000  0.661  1.0
  Al  Al11  1  0.197  0.697  0.500  1.0
  Al  Al12  1  0.803  0.303  0.500  1.0
[/CIF]
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The crystal structure described by Tb(MnAl)6 crystallizes in the orthorhombic Immm space group. Tb(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 to two equivalent Tb(1), two equivalent Mn(1), two equivalent Mn(2), 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 MnTb2Mn4Al6 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Tb(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 MnTb2Mn4Al6 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Tb(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 Tb(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 Tb(1), two equivalent Mn(2), four equivalent Mn(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Tb(MnAl)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.631
_cell_angle_alpha   136.427
_cell_angle_beta   99.114
_cell_angle_gamma   96.725
_symmetry_Int_Tables_number   1
_cell_volume   186.542
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.764  0.500  0.264  1.0
  Mn  Mn6  1  0.236  0.500  0.736  1.0
  Al  Al7  1  0.653  0.653  0.000  1.0
  Al  Al8  1  0.347  0.347  0.000  1.0
  Al  Al9  1  0.339  0.000  0.339  1.0
  Al  Al10  1  0.661  0.000  0.661  1.0
  Al  Al11  1  0.197  0.697  0.500  1.0
  Al  Al12  1  0.803  0.303  0.500  1.0
[/CIF]
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