The material structure described by GdSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded to four equivalent S(1) and three equivalent Br(1) atoms to form a mixture of distorted corner and edge-sharing GdS4Br3 pentagonal bipyramids. S(1) is bonded to four equivalent Gd(1) atoms to form a mixture of corner and edge-sharing SGd4 tetrahedra. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_GdSBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   6.824
_cell_length_c   6.850
_cell_angle_alpha   80.591
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.430
_cell_formula_units_Z   4
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  0.964  0.791  0.320  1.0
  Gd  Gd1  1  0.036  0.209  0.680  1.0
  Gd  Gd2  1  0.464  0.709  0.680  1.0
  Gd  Gd3  1  0.536  0.291  0.320  1.0
  S  S4  1  0.740  0.992  0.555  1.0
  S  S5  1  0.260  0.008  0.445  1.0
  S  S6  1  0.240  0.508  0.445  1.0
  S  S7  1  0.760  0.492  0.555  1.0
  Br  Br8  1  0.617  0.711  0.083  1.0
  Br  Br9  1  0.383  0.289  0.917  1.0
  Br  Br10  1  0.117  0.789  0.917  1.0
  Br  Br11  1  0.883  0.211  0.083  1.0
[/CIF]
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The material structure described by GdSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded to four equivalent S(1) and three equivalent Br(1) atoms to form a mixture of distorted corner and edge-sharing GdS4Br3 pentagonal bipyramids. S(1) is bonded to four equivalent Gd(1) atoms to form a mixture of corner and edge-sharing SGd4 tetrahedra. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_GdSBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   6.824
_cell_length_c   6.850
_cell_angle_alpha   80.591
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.430
_cell_formula_units_Z   4
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  0.964  0.791  0.320  1.0
  Gd  Gd1  1  0.036  0.209  0.680  1.0
  Gd  Gd2  1  0.464  0.709  0.680  1.0
  Gd  Gd3  1  0.536  0.291  0.320  1.0
  S  S4  1  0.740  0.992  0.555  1.0
  S  S5  1  0.260  0.008  0.445  1.0
  S  S6  1  0.240  0.508  0.445  1.0
  S  S7  1  0.760  0.492  0.555  1.0
  Br  Br8  1  0.617  0.711  0.083  1.0
  Br  Br9  1  0.383  0.289  0.917  1.0
  Br  Br10  1  0.117  0.789  0.917  1.0
  Br  Br11  1  0.883  0.211  0.083  1.0
[/CIF]
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