The compound described by GeSe2 crystallizes in the orthorhombic Fdd2 space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing GeSe4 tetrahedra. In the second Ge site, Ge(2) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form corner-sharing GeSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(3) is bonded in a water-like geometry to two equivalent Ge(2) atoms. In the second Se site, Se(1) is bonded in a water-like geometry to one Ge(1) and one Ge(2) atom. In the third Se site, Se(2) is bonded in a water-like geometry to one Ge(1) and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   7.333
_cell_length_c   12.655
_cell_angle_alpha   99.783
_cell_angle_beta   99.783
_cell_angle_gamma   114.426
_symmetry_Int_Tables_number   1
_cell_volume   588.259
_cell_formula_units_Z   6
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
  Ge  Ge0  1  0.257  0.757  0.500  1.0
  Ge  Ge1  1  0.007  0.007  0.000  1.0
  Ge  Ge2  1  0.268  0.013  0.780  1.0
  Ge  Ge3  1  0.233  0.488  0.220  1.0
  Ge  Ge4  1  0.263  0.018  0.280  1.0
  Ge  Ge5  1  0.738  0.983  0.720  1.0
  Se  Se6  1  0.110  0.672  0.653  1.0
  Se  Se7  1  0.020  0.458  0.347  1.0
  Se  Se8  1  0.922  0.860  0.153  1.0
  Se  Se9  1  0.708  0.770  0.847  1.0
  Se  Se10  1  0.244  0.067  0.468  1.0
  Se  Se11  1  0.598  0.776  0.532  1.0
  Se  Se12  1  0.317  0.994  0.968  1.0
  Se  Se13  1  0.026  0.348  0.032  1.0
  Se  Se14  1  0.607  0.230  0.762  1.0
  Se  Se15  1  0.468  0.845  0.238  1.0
  Se  Se16  1  0.480  0.357  0.262  1.0
  Se  Se17  1  0.095  0.218  0.738  1.0
[/CIF]
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The compound described by GeSe2 crystallizes in the orthorhombic Fdd2 space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing GeSe4 tetrahedra. In the second Ge site, Ge(2) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form corner-sharing GeSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(3) is bonded in a water-like geometry to two equivalent Ge(2) atoms. In the second Se site, Se(1) is bonded in a water-like geometry to one Ge(1) and one Ge(2) atom. In the third Se site, Se(2) is bonded in a water-like geometry to one Ge(1) and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   7.333
_cell_length_c   12.655
_cell_angle_alpha   99.783
_cell_angle_beta   99.783
_cell_angle_gamma   114.426
_symmetry_Int_Tables_number   1
_cell_volume   588.259
_cell_formula_units_Z   6
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
  Ge  Ge0  1  0.257  0.757  0.500  1.0
  Ge  Ge1  1  0.007  0.007  0.000  1.0
  Ge  Ge2  1  0.268  0.013  0.780  1.0
  Ge  Ge3  1  0.233  0.488  0.220  1.0
  Ge  Ge4  1  0.263  0.018  0.280  1.0
  Ge  Ge5  1  0.738  0.983  0.720  1.0
  Se  Se6  1  0.110  0.672  0.653  1.0
  Se  Se7  1  0.020  0.458  0.347  1.0
  Se  Se8  1  0.922  0.860  0.153  1.0
  Se  Se9  1  0.708  0.770  0.847  1.0
  Se  Se10  1  0.244  0.067  0.468  1.0
  Se  Se11  1  0.598  0.776  0.532  1.0
  Se  Se12  1  0.317  0.994  0.968  1.0
  Se  Se13  1  0.026  0.348  0.032  1.0
  Se  Se14  1  0.607  0.230  0.762  1.0
  Se  Se15  1  0.468  0.845  0.238  1.0
  Se  Se16  1  0.480  0.357  0.262  1.0
  Se  Se17  1  0.095  0.218  0.738  1.0
[/CIF]
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