The material structure described by Tb3CuGeS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 9-coordinate geometry to one Cu(1), one S(2), three equivalent S(1), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Tb(1) and three equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Tb(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Tb(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Tb3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.910
_cell_length_b   9.910
_cell_length_c   5.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   496.727
_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  0.133  0.776  0.755  1.0
  Tb  Tb1  1  0.224  0.357  0.755  1.0
  Tb  Tb2  1  0.776  0.643  0.255  1.0
  Tb  Tb3  1  0.643  0.867  0.755  1.0
  Tb  Tb4  1  0.357  0.133  0.255  1.0
  Tb  Tb5  1  0.867  0.224  0.255  1.0
  Cu  Cu6  1  0.000  0.000  0.688  1.0
  Cu  Cu7  1  0.000  0.000  0.188  1.0
  Ge  Ge8  1  0.667  0.333  0.836  1.0
  Ge  Ge9  1  0.333  0.667  0.336  1.0
  S  S10  1  0.901  0.480  0.997  1.0
  S  S11  1  0.333  0.667  0.958  1.0
  S  S12  1  0.160  0.258  0.216  1.0
  S  S13  1  0.480  0.579  0.497  1.0
  S  S14  1  0.099  0.520  0.497  1.0
  S  S15  1  0.258  0.099  0.716  1.0
  S  S16  1  0.421  0.901  0.497  1.0
  S  S17  1  0.901  0.160  0.716  1.0
  S  S18  1  0.742  0.901  0.216  1.0
  S  S19  1  0.520  0.421  0.997  1.0
  S  S20  1  0.099  0.840  0.216  1.0
  S  S21  1  0.667  0.333  0.458  1.0
  S  S22  1  0.579  0.099  0.997  1.0
  S  S23  1  0.840  0.742  0.716  1.0
[/CIF]
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The material structure described by Tb3CuGeS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 9-coordinate geometry to one Cu(1), one S(2), three equivalent S(1), and four equivalent S(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Tb(1) and three equivalent S(3) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Ge(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to three equivalent Tb(1) and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent Tb(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Tb3CuGeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.910
_cell_length_b   9.910
_cell_length_c   5.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   496.727
_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  0.133  0.776  0.755  1.0
  Tb  Tb1  1  0.224  0.357  0.755  1.0
  Tb  Tb2  1  0.776  0.643  0.255  1.0
  Tb  Tb3  1  0.643  0.867  0.755  1.0
  Tb  Tb4  1  0.357  0.133  0.255  1.0
  Tb  Tb5  1  0.867  0.224  0.255  1.0
  Cu  Cu6  1  0.000  0.000  0.688  1.0
  Cu  Cu7  1  0.000  0.000  0.188  1.0
  Ge  Ge8  1  0.667  0.333  0.836  1.0
  Ge  Ge9  1  0.333  0.667  0.336  1.0
  S  S10  1  0.901  0.480  0.997  1.0
  S  S11  1  0.333  0.667  0.958  1.0
  S  S12  1  0.160  0.258  0.216  1.0
  S  S13  1  0.480  0.579  0.497  1.0
  S  S14  1  0.099  0.520  0.497  1.0
  S  S15  1  0.258  0.099  0.716  1.0
  S  S16  1  0.421  0.901  0.497  1.0
  S  S17  1  0.901  0.160  0.716  1.0
  S  S18  1  0.742  0.901  0.216  1.0
  S  S19  1  0.520  0.421  0.997  1.0
  S  S20  1  0.099  0.840  0.216  1.0
  S  S21  1  0.667  0.333  0.458  1.0
  S  S22  1  0.579  0.099  0.997  1.0
  S  S23  1  0.840  0.742  0.716  1.0
[/CIF]
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