The material structure described by Tb3CuSnSe7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 7-coordinate geometry to one Se(2), three equivalent Se(1), and three equivalent Se(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Se(3) atoms. Sn(1) is bonded in a tetrahedral geometry to one Se(2) and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to three equivalent Tb(1) and one Sn(1) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Tb3CuSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.278
_cell_length_b   10.278
_cell_length_c   6.508
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   595.293
_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  0.643  0.850  0.901  1.0
  Tb  Tb1  1  0.793  0.643  0.401  1.0
  Tb  Tb2  1  0.850  0.207  0.401  1.0
  Tb  Tb3  1  0.150  0.793  0.901  1.0
  Tb  Tb4  1  0.207  0.357  0.901  1.0
  Tb  Tb5  1  0.357  0.150  0.401  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  Sn  Sn8  1  0.667  0.333  0.830  1.0
  Sn  Sn9  1  0.333  0.667  0.330  1.0
  Se  Se10  1  0.482  0.561  0.148  1.0
  Se  Se11  1  0.921  0.482  0.648  1.0
  Se  Se12  1  0.561  0.079  0.648  1.0
  Se  Se13  1  0.439  0.921  0.148  1.0
  Se  Se14  1  0.333  0.667  0.722  1.0
  Se  Se15  1  0.667  0.333  0.222  1.0
  Se  Se16  1  0.079  0.518  0.148  1.0
  Se  Se17  1  0.518  0.439  0.648  1.0
  Se  Se18  1  0.264  0.116  0.973  1.0
  Se  Se19  1  0.148  0.264  0.473  1.0
  Se  Se20  1  0.116  0.852  0.473  1.0
  Se  Se21  1  0.884  0.148  0.973  1.0
  Se  Se22  1  0.852  0.736  0.973  1.0
  Se  Se23  1  0.736  0.884  0.473  1.0
[/CIF]
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The material structure described by Tb3CuSnSe7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 7-coordinate geometry to one Se(2), three equivalent Se(1), and three equivalent Se(3) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent Se(3) atoms. Sn(1) is bonded in a tetrahedral geometry to one Se(2) and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to three equivalent Tb(1) and one Sn(1) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Tb3CuSnSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.278
_cell_length_b   10.278
_cell_length_c   6.508
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   595.293
_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  0.643  0.850  0.901  1.0
  Tb  Tb1  1  0.793  0.643  0.401  1.0
  Tb  Tb2  1  0.850  0.207  0.401  1.0
  Tb  Tb3  1  0.150  0.793  0.901  1.0
  Tb  Tb4  1  0.207  0.357  0.901  1.0
  Tb  Tb5  1  0.357  0.150  0.401  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  Sn  Sn8  1  0.667  0.333  0.830  1.0
  Sn  Sn9  1  0.333  0.667  0.330  1.0
  Se  Se10  1  0.482  0.561  0.148  1.0
  Se  Se11  1  0.921  0.482  0.648  1.0
  Se  Se12  1  0.561  0.079  0.648  1.0
  Se  Se13  1  0.439  0.921  0.148  1.0
  Se  Se14  1  0.333  0.667  0.722  1.0
  Se  Se15  1  0.667  0.333  0.222  1.0
  Se  Se16  1  0.079  0.518  0.148  1.0
  Se  Se17  1  0.518  0.439  0.648  1.0
  Se  Se18  1  0.264  0.116  0.973  1.0
  Se  Se19  1  0.148  0.264  0.473  1.0
  Se  Se20  1  0.116  0.852  0.473  1.0
  Se  Se21  1  0.884  0.148  0.973  1.0
  Se  Se22  1  0.852  0.736  0.973  1.0
  Se  Se23  1  0.736  0.884  0.473  1.0
[/CIF]
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