The material described by Ge2S3I2 is Indium-like structured and crystallizes in the trigonal P-3 space group. The structure is zero-dimensional and consists of two Ge2S3I2 clusters. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one S(2), two equivalent S(1), and one I(1) atom to form corner-sharing GeS3I tetrahedra. In the second Ge site, Ge(2) is bonded to three equivalent S(2) and one I(2) atom to form corner-sharing GeS3I tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to one Ge(1) and one Ge(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Ge(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Ge(2) atom. is represented by the CIF card [CIF]
data_Ge2S3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.336
_cell_length_b   11.336
_cell_length_c   10.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1114.144
_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
  Ge  Ge0  1  0.812  0.282  0.770  1.0
  Ge  Ge1  1  0.470  0.188  0.770  1.0
  Ge  Ge2  1  0.333  0.667  0.947  1.0
  Ge  Ge3  1  0.188  0.718  0.230  1.0
  Ge  Ge4  1  0.530  0.812  0.230  1.0
  Ge  Ge5  1  0.282  0.470  0.230  1.0
  Ge  Ge6  1  0.667  0.333  0.053  1.0
  Ge  Ge7  1  0.718  0.530  0.770  1.0
  S  S8  1  0.611  0.121  0.686  1.0
  S  S9  1  0.176  0.722  0.007  1.0
  S  S10  1  0.546  0.824  0.007  1.0
  S  S11  1  0.278  0.454  0.007  1.0
  S  S12  1  0.454  0.176  0.993  1.0
  S  S13  1  0.722  0.546  0.993  1.0
  S  S14  1  0.824  0.278  0.993  1.0
  S  S15  1  0.121  0.510  0.314  1.0
  S  S16  1  0.510  0.389  0.686  1.0
  S  S17  1  0.879  0.490  0.686  1.0
  S  S18  1  0.389  0.879  0.314  1.0
  S  S19  1  0.490  0.611  0.314  1.0
  I  I20  1  0.983  0.218  0.688  1.0
  I  I21  1  0.782  0.766  0.688  1.0
  I  I22  1  0.017  0.782  0.312  1.0
  I  I23  1  0.766  0.983  0.312  1.0
  I  I24  1  0.218  0.234  0.312  1.0
  I  I25  1  0.667  0.333  0.305  1.0
  I  I26  1  0.333  0.667  0.695  1.0
  I  I27  1  0.234  0.017  0.688  1.0
[/CIF]
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The material described by Ge2S3I2 is Indium-like structured and crystallizes in the trigonal P-3 space group. The structure is zero-dimensional and consists of two Ge2S3I2 clusters. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one S(2), two equivalent S(1), and one I(1) atom to form corner-sharing GeS3I tetrahedra. In the second Ge site, Ge(2) is bonded to three equivalent S(2) and one I(2) atom to form corner-sharing GeS3I tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to one Ge(1) and one Ge(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Ge(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Ge(2) atom. is represented by the CIF card [CIF]
data_Ge2S3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.336
_cell_length_b   11.336
_cell_length_c   10.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1114.144
_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
  Ge  Ge0  1  0.812  0.282  0.770  1.0
  Ge  Ge1  1  0.470  0.188  0.770  1.0
  Ge  Ge2  1  0.333  0.667  0.947  1.0
  Ge  Ge3  1  0.188  0.718  0.230  1.0
  Ge  Ge4  1  0.530  0.812  0.230  1.0
  Ge  Ge5  1  0.282  0.470  0.230  1.0
  Ge  Ge6  1  0.667  0.333  0.053  1.0
  Ge  Ge7  1  0.718  0.530  0.770  1.0
  S  S8  1  0.611  0.121  0.686  1.0
  S  S9  1  0.176  0.722  0.007  1.0
  S  S10  1  0.546  0.824  0.007  1.0
  S  S11  1  0.278  0.454  0.007  1.0
  S  S12  1  0.454  0.176  0.993  1.0
  S  S13  1  0.722  0.546  0.993  1.0
  S  S14  1  0.824  0.278  0.993  1.0
  S  S15  1  0.121  0.510  0.314  1.0
  S  S16  1  0.510  0.389  0.686  1.0
  S  S17  1  0.879  0.490  0.686  1.0
  S  S18  1  0.389  0.879  0.314  1.0
  S  S19  1  0.490  0.611  0.314  1.0
  I  I20  1  0.983  0.218  0.688  1.0
  I  I21  1  0.782  0.766  0.688  1.0
  I  I22  1  0.017  0.782  0.312  1.0
  I  I23  1  0.766  0.983  0.312  1.0
  I  I24  1  0.218  0.234  0.312  1.0
  I  I25  1  0.667  0.333  0.305  1.0
  I  I26  1  0.333  0.667  0.695  1.0
  I  I27  1  0.234  0.017  0.688  1.0
[/CIF]
.