The crystal structure described by Tb3FeGaS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. Ga(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Tb(1) and two equivalent Fe(1) atoms to form distorted STb3Fe2 square pyramids that share corners with two equivalent S(1)Tb3Fe2 square pyramids, corners with three equivalent S(3)Tb3Ga tetrahedra, edges with four equivalent S(1)Tb3Fe2 square pyramids, and faces with two equivalent S(1)Tb3Fe2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Tb(1) and one Ga(1) atom. In the third S site, S(3) is bonded to three equivalent Tb(1) and one Ga(1) atom to form corner-sharing STb3Ga tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3GaFeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.670
_cell_length_b   9.670
_cell_length_c   6.140
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   497.188
_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  0.622  0.847  0.321  1.0
  Tb  Tb1  1  0.153  0.775  0.321  1.0
  Tb  Tb2  1  0.225  0.378  0.321  1.0
  Tb  Tb3  1  0.378  0.153  0.821  1.0
  Tb  Tb4  1  0.847  0.225  0.821  1.0
  Tb  Tb5  1  0.775  0.622  0.821  1.0
  Ga  Ga6  1  0.667  0.333  0.394  1.0
  Ga  Ga7  1  0.333  0.667  0.894  1.0
  Fe  Fe8  1  0.000  0.000  0.502  1.0
  Fe  Fe9  1  0.000  0.000  0.002  1.0
  S  S10  1  0.899  0.137  0.236  1.0
  S  S11  1  0.863  0.762  0.236  1.0
  S  S12  1  0.238  0.101  0.236  1.0
  S  S13  1  0.101  0.863  0.736  1.0
  S  S14  1  0.137  0.238  0.736  1.0
  S  S15  1  0.762  0.899  0.736  1.0
  S  S16  1  0.481  0.570  0.053  1.0
  S  S17  1  0.430  0.911  0.053  1.0
  S  S18  1  0.089  0.519  0.053  1.0
  S  S19  1  0.519  0.430  0.553  1.0
  S  S20  1  0.570  0.089  0.553  1.0
  S  S21  1  0.911  0.481  0.553  1.0
  S  S22  1  0.667  0.333  0.025  1.0
  S  S23  1  0.333  0.667  0.525  1.0
[/CIF]
.
The crystal structure described by Tb3FeGaS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. Ga(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Tb(1) and two equivalent Fe(1) atoms to form distorted STb3Fe2 square pyramids that share corners with two equivalent S(1)Tb3Fe2 square pyramids, corners with three equivalent S(3)Tb3Ga tetrahedra, edges with four equivalent S(1)Tb3Fe2 square pyramids, and faces with two equivalent S(1)Tb3Fe2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Tb(1) and one Ga(1) atom. In the third S site, S(3) is bonded to three equivalent Tb(1) and one Ga(1) atom to form corner-sharing STb3Ga tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3GaFeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.670
_cell_length_b   9.670
_cell_length_c   6.140
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   497.188
_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  0.622  0.847  0.321  1.0
  Tb  Tb1  1  0.153  0.775  0.321  1.0
  Tb  Tb2  1  0.225  0.378  0.321  1.0
  Tb  Tb3  1  0.378  0.153  0.821  1.0
  Tb  Tb4  1  0.847  0.225  0.821  1.0
  Tb  Tb5  1  0.775  0.622  0.821  1.0
  Ga  Ga6  1  0.667  0.333  0.394  1.0
  Ga  Ga7  1  0.333  0.667  0.894  1.0
  Fe  Fe8  1  0.000  0.000  0.502  1.0
  Fe  Fe9  1  0.000  0.000  0.002  1.0
  S  S10  1  0.899  0.137  0.236  1.0
  S  S11  1  0.863  0.762  0.236  1.0
  S  S12  1  0.238  0.101  0.236  1.0
  S  S13  1  0.101  0.863  0.736  1.0
  S  S14  1  0.137  0.238  0.736  1.0
  S  S15  1  0.762  0.899  0.736  1.0
  S  S16  1  0.481  0.570  0.053  1.0
  S  S17  1  0.430  0.911  0.053  1.0
  S  S18  1  0.089  0.519  0.053  1.0
  S  S19  1  0.519  0.430  0.553  1.0
  S  S20  1  0.570  0.089  0.553  1.0
  S  S21  1  0.911  0.481  0.553  1.0
  S  S22  1  0.667  0.333  0.025  1.0
  S  S23  1  0.333  0.667  0.525  1.0
[/CIF]
.