The material described by TbCu6In6 crystallizes in the orthorhombic Immm space group. Tb(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Tb(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted face, corner, and edge-sharing CuTb2In6Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Tb(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Tb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Tb(InCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.058
_cell_length_b   7.058
_cell_length_c   7.058
_cell_angle_alpha   133.659
_cell_angle_beta   99.222
_cell_angle_gamma   98.591
_symmetry_Int_Tables_number   1
_cell_volume   233.880
_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
  In  In1  1  0.337  0.000  0.337  1.0
  In  In2  1  0.663  0.000  0.663  1.0
  In  In3  1  0.343  0.343  0.000  1.0
  In  In4  1  0.657  0.657  0.000  1.0
  In  In5  1  0.814  0.314  0.500  1.0
  In  In6  1  0.186  0.686  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
  Cu  Cu9  1  0.500  0.000  0.000  1.0
  Cu  Cu10  1  0.500  0.500  0.500  1.0
  Cu  Cu11  1  0.767  0.500  0.267  1.0
  Cu  Cu12  1  0.233  0.500  0.733  1.0
[/CIF]
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The material described by TbCu6In6 crystallizes in the orthorhombic Immm space group. Tb(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Tb(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted face, corner, and edge-sharing CuTb2In6Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Tb(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Tb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Tb(InCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.058
_cell_length_b   7.058
_cell_length_c   7.058
_cell_angle_alpha   133.659
_cell_angle_beta   99.222
_cell_angle_gamma   98.591
_symmetry_Int_Tables_number   1
_cell_volume   233.880
_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
  In  In1  1  0.337  0.000  0.337  1.0
  In  In2  1  0.663  0.000  0.663  1.0
  In  In3  1  0.343  0.343  0.000  1.0
  In  In4  1  0.657  0.657  0.000  1.0
  In  In5  1  0.814  0.314  0.500  1.0
  In  In6  1  0.186  0.686  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
  Cu  Cu9  1  0.500  0.000  0.000  1.0
  Cu  Cu10  1  0.500  0.500  0.500  1.0
  Cu  Cu11  1  0.767  0.500  0.267  1.0
  Cu  Cu12  1  0.233  0.500  0.733  1.0
[/CIF]
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