The material described by Gd3MnGaS7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Mn(1) is bonded to six equivalent S(1) atoms to form face-sharing MnS6 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 in a 5-coordinate geometry to three equivalent Gd(1) and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Gd(1) and one Ga(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent Gd(1) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3MnGaS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.830
_cell_length_b   9.830
_cell_length_c   6.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   509.417
_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
  Gd  Gd0  1  0.765  0.141  0.738  1.0
  Gd  Gd1  1  0.376  0.235  0.738  1.0
  Gd  Gd2  1  0.859  0.624  0.738  1.0
  Gd  Gd3  1  0.235  0.859  0.238  1.0
  Gd  Gd4  1  0.624  0.765  0.238  1.0
  Gd  Gd5  1  0.141  0.376  0.238  1.0
  Mn  Mn6  1  0.000  0.000  0.521  1.0
  Mn  Mn7  1  0.000  0.000  0.021  1.0
  Ga  Ga8  1  0.667  0.333  0.165  1.0
  Ga  Ga9  1  0.333  0.667  0.665  1.0
  S  S10  1  0.853  0.094  0.299  1.0
  S  S11  1  0.241  0.147  0.299  1.0
  S  S12  1  0.906  0.759  0.299  1.0
  S  S13  1  0.147  0.906  0.799  1.0
  S  S14  1  0.759  0.853  0.799  1.0
  S  S15  1  0.094  0.241  0.799  1.0
  S  S16  1  0.907  0.421  0.003  1.0
  S  S17  1  0.515  0.093  0.003  1.0
  S  S18  1  0.579  0.485  0.003  1.0
  S  S19  1  0.093  0.579  0.503  1.0
  S  S20  1  0.485  0.907  0.503  1.0
  S  S21  1  0.421  0.515  0.503  1.0
  S  S22  1  0.667  0.333  0.534  1.0
  S  S23  1  0.333  0.667  0.034  1.0
[/CIF]
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The material described by Gd3MnGaS7 crystallizes in the hexagonal P6_3 space group. Gd(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Mn(1) is bonded to six equivalent S(1) atoms to form face-sharing MnS6 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 in a 5-coordinate geometry to three equivalent Gd(1) and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Gd(1) and one Ga(1) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to three equivalent Gd(1) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3MnGaS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.830
_cell_length_b   9.830
_cell_length_c   6.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   509.417
_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
  Gd  Gd0  1  0.765  0.141  0.738  1.0
  Gd  Gd1  1  0.376  0.235  0.738  1.0
  Gd  Gd2  1  0.859  0.624  0.738  1.0
  Gd  Gd3  1  0.235  0.859  0.238  1.0
  Gd  Gd4  1  0.624  0.765  0.238  1.0
  Gd  Gd5  1  0.141  0.376  0.238  1.0
  Mn  Mn6  1  0.000  0.000  0.521  1.0
  Mn  Mn7  1  0.000  0.000  0.021  1.0
  Ga  Ga8  1  0.667  0.333  0.165  1.0
  Ga  Ga9  1  0.333  0.667  0.665  1.0
  S  S10  1  0.853  0.094  0.299  1.0
  S  S11  1  0.241  0.147  0.299  1.0
  S  S12  1  0.906  0.759  0.299  1.0
  S  S13  1  0.147  0.906  0.799  1.0
  S  S14  1  0.759  0.853  0.799  1.0
  S  S15  1  0.094  0.241  0.799  1.0
  S  S16  1  0.907  0.421  0.003  1.0
  S  S17  1  0.515  0.093  0.003  1.0
  S  S18  1  0.579  0.485  0.003  1.0
  S  S19  1  0.093  0.579  0.503  1.0
  S  S20  1  0.485  0.907  0.503  1.0
  S  S21  1  0.421  0.515  0.503  1.0
  S  S22  1  0.667  0.333  0.534  1.0
  S  S23  1  0.333  0.667  0.034  1.0
[/CIF]
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