The material structure described by Tb4Cu7Sn11 crystallizes in the tetragonal P4mm space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Cu(4), four equivalent Sn(3), and four equivalent Sn(6) atoms to form a mixture of corner and face-sharing TbCu4Sn8 cuboctahedra. In the second Tb site, Tb(2) is bonded to one Cu(3), four equivalent Cu(5), four equivalent Sn(4), and four equivalent Sn(5) atoms to form a mixture of distorted corner and face-sharing TbCu5Sn8 cuboctahedra. In the third Tb site, Tb(3) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(4), four equivalent Sn(1), and four equivalent Sn(7) atoms. In the fourth Tb site, Tb(4) is bonded in a 16-coordinate geometry to four equivalent Cu(2), four equivalent Cu(3), four equivalent Cu(5), and four equivalent Sn(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to four equivalent Tb(3), one Sn(7), and four equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to four equivalent Tb(4), one Cu(3), and four equivalent Sn(2) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Tb(2), four equivalent Tb(4), one Cu(2), and four equivalent Cu(5) atoms. In the fourth Cu site, Cu(4) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), two equivalent Sn(3), and two equivalent Sn(7) atoms. In the fifth Cu site, Cu(5) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Tb(4), two equivalent Cu(3), and two equivalent Sn(4) atoms. There are seven inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Tb(3), two equivalent Cu(1), one Sn(5), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Tb(4), two equivalent Cu(2), one Sn(6), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Tb(1) and four equivalent Cu(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Tb(2) and four equivalent Cu(5) atoms. In the fifth Sn site, Sn(5) is bonded in a 7-coordinate geometry to two equivalent Tb(2), one Sn(1), and four equivalent Sn(5) atoms. In the sixth Sn site, Sn(6) is bonded in a 7-coordinate geometry to two equivalent Tb(1), one Sn(2), and four equivalent Sn(6) atoms. In the seventh Sn site, Sn(7) is bonded in a 9-coordinate geometry to four equivalent Tb(3), one Cu(1), and four equivalent Cu(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4Cu7Sn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.418
_cell_length_b   4.418
_cell_length_c   25.241
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.649
_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  0.998  1.0
  Tb  Tb1  1  0.500  0.500  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.183  1.0
  Tb  Tb3  1  0.000  0.000  0.677  1.0
  Cu  Cu4  1  0.000  0.000  0.235  1.0
  Cu  Cu5  1  0.500  0.500  0.726  1.0
  Cu  Cu6  1  0.500  0.500  0.633  1.0
  Cu  Cu7  1  0.500  0.000  0.084  1.0
  Cu  Cu8  1  0.000  0.500  0.590  1.0
  Cu  Cu9  1  0.000  0.500  0.084  1.0
  Cu  Cu10  1  0.500  0.000  0.590  1.0
  Sn  Sn11  1  0.500  0.000  0.290  1.0
  Sn  Sn12  1  0.000  0.500  0.785  1.0
  Sn  Sn13  1  0.000  0.500  0.290  1.0
  Sn  Sn14  1  0.500  0.000  0.785  1.0
  Sn  Sn15  1  0.500  0.500  0.023  1.0
  Sn  Sn16  1  0.000  0.000  0.533  1.0
  Sn  Sn17  1  0.500  0.000  0.405  1.0
  Sn  Sn18  1  0.000  0.500  0.903  1.0
  Sn  Sn19  1  0.000  0.500  0.405  1.0
  Sn  Sn20  1  0.500  0.000  0.903  1.0
  Sn  Sn21  1  0.000  0.000  0.137  1.0
[/CIF]
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The material structure described by Tb4Cu7Sn11 crystallizes in the tetragonal P4mm space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Cu(4), four equivalent Sn(3), and four equivalent Sn(6) atoms to form a mixture of corner and face-sharing TbCu4Sn8 cuboctahedra. In the second Tb site, Tb(2) is bonded to one Cu(3), four equivalent Cu(5), four equivalent Sn(4), and four equivalent Sn(5) atoms to form a mixture of distorted corner and face-sharing TbCu5Sn8 cuboctahedra. In the third Tb site, Tb(3) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(4), four equivalent Sn(1), and four equivalent Sn(7) atoms. In the fourth Tb site, Tb(4) is bonded in a 16-coordinate geometry to four equivalent Cu(2), four equivalent Cu(3), four equivalent Cu(5), and four equivalent Sn(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to four equivalent Tb(3), one Sn(7), and four equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to four equivalent Tb(4), one Cu(3), and four equivalent Sn(2) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Tb(2), four equivalent Tb(4), one Cu(2), and four equivalent Cu(5) atoms. In the fourth Cu site, Cu(4) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), two equivalent Sn(3), and two equivalent Sn(7) atoms. In the fifth Cu site, Cu(5) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Tb(4), two equivalent Cu(3), and two equivalent Sn(4) atoms. There are seven inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Tb(3), two equivalent Cu(1), one Sn(5), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Tb(4), two equivalent Cu(2), one Sn(6), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Tb(1) and four equivalent Cu(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to four equivalent Tb(2) and four equivalent Cu(5) atoms. In the fifth Sn site, Sn(5) is bonded in a 7-coordinate geometry to two equivalent Tb(2), one Sn(1), and four equivalent Sn(5) atoms. In the sixth Sn site, Sn(6) is bonded in a 7-coordinate geometry to two equivalent Tb(1), one Sn(2), and four equivalent Sn(6) atoms. In the seventh Sn site, Sn(7) is bonded in a 9-coordinate geometry to four equivalent Tb(3), one Cu(1), and four equivalent Cu(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4Cu7Sn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.418
_cell_length_b   4.418
_cell_length_c   25.241
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.649
_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  0.998  1.0
  Tb  Tb1  1  0.500  0.500  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.183  1.0
  Tb  Tb3  1  0.000  0.000  0.677  1.0
  Cu  Cu4  1  0.000  0.000  0.235  1.0
  Cu  Cu5  1  0.500  0.500  0.726  1.0
  Cu  Cu6  1  0.500  0.500  0.633  1.0
  Cu  Cu7  1  0.500  0.000  0.084  1.0
  Cu  Cu8  1  0.000  0.500  0.590  1.0
  Cu  Cu9  1  0.000  0.500  0.084  1.0
  Cu  Cu10  1  0.500  0.000  0.590  1.0
  Sn  Sn11  1  0.500  0.000  0.290  1.0
  Sn  Sn12  1  0.000  0.500  0.785  1.0
  Sn  Sn13  1  0.000  0.500  0.290  1.0
  Sn  Sn14  1  0.500  0.000  0.785  1.0
  Sn  Sn15  1  0.500  0.500  0.023  1.0
  Sn  Sn16  1  0.000  0.000  0.533  1.0
  Sn  Sn17  1  0.500  0.000  0.405  1.0
  Sn  Sn18  1  0.000  0.500  0.903  1.0
  Sn  Sn19  1  0.000  0.500  0.405  1.0
  Sn  Sn20  1  0.500  0.000  0.903  1.0
  Sn  Sn21  1  0.000  0.000  0.137  1.0
[/CIF]
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