The crystal structure described by Ga2Se3 crystallizes in the monoclinic Cc space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form corner-sharing GaSe4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form corner-sharing GaSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the second Se site, Se(2) is bonded in a water-like geometry to one Ga(1) and one Ga(2) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Ga2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.725
_cell_length_b   6.691
_cell_length_c   6.795
_cell_angle_alpha   80.882
_cell_angle_beta   60.344
_cell_angle_gamma   71.320
_symmetry_Int_Tables_number   1
_cell_volume   251.713
_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
  Ga  Ga0  1  0.721  0.504  0.497  1.0
  Ga  Ga1  1  0.218  0.004  0.503  1.0
  Ga  Ga2  1  0.415  0.501  0.171  1.0
  Ga  Ga3  1  0.586  0.001  0.829  1.0
  Se  Se4  1  0.260  0.887  0.157  1.0
  Se  Se5  1  0.416  0.387  0.843  1.0
  Se  Se6  1  0.782  0.364  0.170  1.0
  Se  Se7  1  0.952  0.864  0.830  1.0
  Se  Se8  1  0.098  0.391  0.515  1.0
  Se  Se9  1  0.614  0.891  0.485  1.0
[/CIF]
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The crystal structure described by Ga2Se3 crystallizes in the monoclinic Cc space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form corner-sharing GaSe4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form corner-sharing GaSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the second Se site, Se(2) is bonded in a water-like geometry to one Ga(1) and one Ga(2) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Ga2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.725
_cell_length_b   6.691
_cell_length_c   6.795
_cell_angle_alpha   80.882
_cell_angle_beta   60.344
_cell_angle_gamma   71.320
_symmetry_Int_Tables_number   1
_cell_volume   251.713
_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
  Ga  Ga0  1  0.721  0.504  0.497  1.0
  Ga  Ga1  1  0.218  0.004  0.503  1.0
  Ga  Ga2  1  0.415  0.501  0.171  1.0
  Ga  Ga3  1  0.586  0.001  0.829  1.0
  Se  Se4  1  0.260  0.887  0.157  1.0
  Se  Se5  1  0.416  0.387  0.843  1.0
  Se  Se6  1  0.782  0.364  0.170  1.0
  Se  Se7  1  0.952  0.864  0.830  1.0
  Se  Se8  1  0.098  0.391  0.515  1.0
  Se  Se9  1  0.614  0.891  0.485  1.0
[/CIF]
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