The material described by GaBiSe crystallizes in the tetragonal I4/mcm space group. Ga(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Bi(1) and two equivalent Se(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to two equivalent Ga(1) and three equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to two equivalent Ga(1) and three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_GaBiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.804
_cell_length_b   8.804
_cell_length_c   8.804
_cell_angle_alpha   107.743
_cell_angle_beta   107.743
_cell_angle_gamma   112.987
_symmetry_Int_Tables_number   1
_cell_volume   523.830
_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
  Ga  Ga0  1  0.000  0.500  0.000  1.0
  Ga  Ga1  1  0.500  0.000  0.000  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Bi  Bi4  1  0.142  0.358  0.500  1.0
  Bi  Bi5  1  0.858  0.642  0.500  1.0
  Bi  Bi6  1  0.642  0.142  0.785  1.0
  Bi  Bi7  1  0.358  0.858  0.215  1.0
  Se  Se8  1  0.140  0.640  0.780  1.0
  Se  Se9  1  0.860  0.360  0.220  1.0
  Se  Se10  1  0.360  0.140  0.500  1.0
  Se  Se11  1  0.640  0.860  0.500  1.0
[/CIF]
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The material described by GaBiSe crystallizes in the tetragonal I4/mcm space group. Ga(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Bi(1) and two equivalent Se(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to two equivalent Ga(1) and three equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to two equivalent Ga(1) and three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_GaBiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.804
_cell_length_b   8.804
_cell_length_c   8.804
_cell_angle_alpha   107.743
_cell_angle_beta   107.743
_cell_angle_gamma   112.987
_symmetry_Int_Tables_number   1
_cell_volume   523.830
_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
  Ga  Ga0  1  0.000  0.500  0.000  1.0
  Ga  Ga1  1  0.500  0.000  0.000  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Bi  Bi4  1  0.142  0.358  0.500  1.0
  Bi  Bi5  1  0.858  0.642  0.500  1.0
  Bi  Bi6  1  0.642  0.142  0.785  1.0
  Bi  Bi7  1  0.358  0.858  0.215  1.0
  Se  Se8  1  0.140  0.640  0.780  1.0
  Se  Se9  1  0.860  0.360  0.220  1.0
  Se  Se10  1  0.360  0.140  0.500  1.0
  Se  Se11  1  0.640  0.860  0.500  1.0
[/CIF]
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