The material described by TbMnFe crystallizes in the orthorhombic Imma space group. Tb(1) is bonded in a 12-coordinate geometry to six equivalent Mn(1) and six equivalent Fe(1) atoms. Mn(1) is bonded to six equivalent Tb(1), two equivalent Mn(1), and four equivalent Fe(1) atoms to form MnTb6Mn2Fe4 cuboctahedra that share corners with eight equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, corners with ten equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, edges with six equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, faces with six equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, and faces with twelve equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra. Fe(1) is bonded to six equivalent Tb(1), four equivalent Mn(1), and two equivalent Fe(1) atoms to form FeTb6Mn4Fe2 cuboctahedra that share corners with eight equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, corners with ten equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, edges with six equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, faces with six equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, and faces with twelve equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_TbMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.144
_cell_length_b   5.144
_cell_length_c   5.144
_cell_angle_alpha   120.718
_cell_angle_beta   119.141
_cell_angle_gamma   90.128
_symmetry_Int_Tables_number   1
_cell_volume   96.300
_cell_formula_units_Z   2
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  0.127  0.877  0.250  1.0
  Tb  Tb1  1  0.873  0.123  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by TbMnFe crystallizes in the orthorhombic Imma space group. Tb(1) is bonded in a 12-coordinate geometry to six equivalent Mn(1) and six equivalent Fe(1) atoms. Mn(1) is bonded to six equivalent Tb(1), two equivalent Mn(1), and four equivalent Fe(1) atoms to form MnTb6Mn2Fe4 cuboctahedra that share corners with eight equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, corners with ten equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, edges with six equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, faces with six equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, and faces with twelve equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra. Fe(1) is bonded to six equivalent Tb(1), four equivalent Mn(1), and two equivalent Fe(1) atoms to form FeTb6Mn4Fe2 cuboctahedra that share corners with eight equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra, corners with ten equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, edges with six equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, faces with six equivalent Fe(1)Tb6Mn4Fe2 cuboctahedra, and faces with twelve equivalent Mn(1)Tb6Mn2Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_TbMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.144
_cell_length_b   5.144
_cell_length_c   5.144
_cell_angle_alpha   120.718
_cell_angle_beta   119.141
_cell_angle_gamma   90.128
_symmetry_Int_Tables_number   1
_cell_volume   96.300
_cell_formula_units_Z   2
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  0.127  0.877  0.250  1.0
  Tb  Tb1  1  0.873  0.123  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
[/CIF]
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