The compound 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 in a distorted L-shaped geometry to one Se(2) and two equivalent Se(1) atoms. In the second Ga site, Ga(2) is bonded in a trigonal planar geometry to one Se(1), one Se(2), and one Se(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Ga(2), two equivalent Ga(1), and one Se(3) atom. 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 distorted single-bond geometry to one Ga(2) and one Se(1) atom. is represented by the CIF card [CIF]
data_Ga2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.873
_cell_length_b   7.873
_cell_length_c   10.387
_cell_angle_alpha   52.920
_cell_angle_beta   52.920
_cell_angle_gamma   53.712
_symmetry_Int_Tables_number   1
_cell_volume   382.510
_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  0.296  0.473  0.417  1.0
  Ga  Ga1  1  0.473  0.296  0.917  1.0
  Ga  Ga2  1  0.981  0.010  0.522  1.0
  Ga  Ga3  1  0.010  0.981  0.022  1.0
  Se  Se4  1  0.241  0.935  0.135  1.0
  Se  Se5  1  0.630  0.047  0.167  1.0
  Se  Se6  1  0.935  0.241  0.635  1.0
  Se  Se7  1  0.047  0.630  0.667  1.0
  Se  Se8  1  0.244  0.988  0.730  1.0
  Se  Se9  1  0.988  0.244  0.230  1.0
[/CIF]
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The compound 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 in a distorted L-shaped geometry to one Se(2) and two equivalent Se(1) atoms. In the second Ga site, Ga(2) is bonded in a trigonal planar geometry to one Se(1), one Se(2), and one Se(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Ga(2), two equivalent Ga(1), and one Se(3) atom. 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 distorted single-bond geometry to one Ga(2) and one Se(1) atom. is represented by the CIF card [CIF]
data_Ga2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.873
_cell_length_b   7.873
_cell_length_c   10.387
_cell_angle_alpha   52.920
_cell_angle_beta   52.920
_cell_angle_gamma   53.712
_symmetry_Int_Tables_number   1
_cell_volume   382.510
_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  0.296  0.473  0.417  1.0
  Ga  Ga1  1  0.473  0.296  0.917  1.0
  Ga  Ga2  1  0.981  0.010  0.522  1.0
  Ga  Ga3  1  0.010  0.981  0.022  1.0
  Se  Se4  1  0.241  0.935  0.135  1.0
  Se  Se5  1  0.630  0.047  0.167  1.0
  Se  Se6  1  0.935  0.241  0.635  1.0
  Se  Se7  1  0.047  0.630  0.667  1.0
  Se  Se8  1  0.244  0.988  0.730  1.0
  Se  Se9  1  0.988  0.244  0.230  1.0
[/CIF]
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