The material described by GeS2 crystallizes in the monoclinic Pc space group. There are six inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one S(1), one S(2), and two equivalent S(6) atoms to form corner-sharing GeS4 tetrahedra. In the second Ge site, Ge(2) is bonded to one S(10), one S(3), one S(8), and one S(9) atom to form corner-sharing GeS4 tetrahedra. In the third Ge site, Ge(3) is bonded to one S(11), one S(5), and two equivalent S(12) atoms to form corner-sharing GeS4 tetrahedra. In the fourth Ge site, Ge(4) is bonded to one S(4), one S(7), one S(8), and one S(9) atom to form corner-sharing GeS4 tetrahedra. In the fifth Ge site, Ge(5) is bonded to one S(1), one S(2), one S(3), and one S(7) atom to form corner-sharing GeS4 tetrahedra. In the sixth Ge site, Ge(6) is bonded to one S(10), one S(11), one S(4), and one S(5) atom to form corner-sharing GeS4 tetrahedra. There are twelve inequivalent S sites. In the first S site, S(11) is bonded in a water-like geometry to one Ge(3) and one Ge(6) atom. In the second S site, S(12) is bonded in a water-like geometry to two equivalent Ge(3) atoms. In the third S site, S(1) is bonded in a water-like geometry to one Ge(1) and one Ge(5) atom. In the fourth S site, S(2) is bonded in a water-like geometry to one Ge(1) and one Ge(5) atom. In the fifth S site, S(3) is bonded in a water-like geometry to one Ge(2) and one Ge(5) atom. In the sixth S site, S(4) is bonded in a water-like geometry to one Ge(4) and one Ge(6) atom. In the seventh S site, S(5) is bonded in a water-like geometry to one Ge(3) and one Ge(6) atom. In the eighth S site, S(6) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the ninth S site, S(7) is bonded in a water-like geometry to one Ge(4) and one Ge(5) atom. In the tenth S site, S(8) is bonded in a water-like geometry to one Ge(2) and one Ge(4) atom. In the eleventh S site, S(9) is bonded in a water-like geometry to one Ge(2) and one Ge(4) atom. In the twelfth S site, S(10) is bonded in a water-like geometry to one Ge(2) and one Ge(6) atom. is represented by the CIF file [CIF]
data_GeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.964
_cell_length_b   6.965
_cell_length_c   11.970
_cell_angle_alpha   98.669
_cell_angle_beta   98.663
_cell_angle_gamma   118.821
_symmetry_Int_Tables_number   1
_cell_volume   485.880
_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  0.986  0.991  0.976  1.0
  Ge  Ge1  1  0.511  0.016  0.024  1.0
  Ge  Ge2  1  0.491  0.492  0.475  1.0
  Ge  Ge3  1  0.516  0.017  0.525  1.0
  Ge  Ge4  1  0.486  0.740  0.750  1.0
  Ge  Ge5  1  0.236  0.990  0.250  1.0
  S  S6  1  0.316  0.669  0.897  1.0
  S  S7  1  0.918  0.771  0.103  1.0
  S  S8  1  0.825  0.765  0.794  1.0
  S  S9  1  0.531  0.971  0.206  1.0
  S  S10  1  0.270  0.424  0.602  1.0
  S  S11  1  0.168  0.822  0.398  1.0
  S  S12  1  0.865  0.236  0.007  1.0
  S  S13  1  0.358  0.229  0.993  1.0
  S  S14  1  0.465  0.033  0.706  1.0
  S  S15  1  0.259  0.327  0.294  1.0
  S  S16  1  0.737  0.371  0.508  1.0
  S  S17  1  0.729  0.863  0.492  1.0
[/CIF]
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The material described by GeS2 crystallizes in the monoclinic Pc space group. There are six inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one S(1), one S(2), and two equivalent S(6) atoms to form corner-sharing GeS4 tetrahedra. In the second Ge site, Ge(2) is bonded to one S(10), one S(3), one S(8), and one S(9) atom to form corner-sharing GeS4 tetrahedra. In the third Ge site, Ge(3) is bonded to one S(11), one S(5), and two equivalent S(12) atoms to form corner-sharing GeS4 tetrahedra. In the fourth Ge site, Ge(4) is bonded to one S(4), one S(7), one S(8), and one S(9) atom to form corner-sharing GeS4 tetrahedra. In the fifth Ge site, Ge(5) is bonded to one S(1), one S(2), one S(3), and one S(7) atom to form corner-sharing GeS4 tetrahedra. In the sixth Ge site, Ge(6) is bonded to one S(10), one S(11), one S(4), and one S(5) atom to form corner-sharing GeS4 tetrahedra. There are twelve inequivalent S sites. In the first S site, S(11) is bonded in a water-like geometry to one Ge(3) and one Ge(6) atom. In the second S site, S(12) is bonded in a water-like geometry to two equivalent Ge(3) atoms. In the third S site, S(1) is bonded in a water-like geometry to one Ge(1) and one Ge(5) atom. In the fourth S site, S(2) is bonded in a water-like geometry to one Ge(1) and one Ge(5) atom. In the fifth S site, S(3) is bonded in a water-like geometry to one Ge(2) and one Ge(5) atom. In the sixth S site, S(4) is bonded in a water-like geometry to one Ge(4) and one Ge(6) atom. In the seventh S site, S(5) is bonded in a water-like geometry to one Ge(3) and one Ge(6) atom. In the eighth S site, S(6) is bonded in a water-like geometry to two equivalent Ge(1) atoms. In the ninth S site, S(7) is bonded in a water-like geometry to one Ge(4) and one Ge(5) atom. In the tenth S site, S(8) is bonded in a water-like geometry to one Ge(2) and one Ge(4) atom. In the eleventh S site, S(9) is bonded in a water-like geometry to one Ge(2) and one Ge(4) atom. In the twelfth S site, S(10) is bonded in a water-like geometry to one Ge(2) and one Ge(6) atom. is represented by the CIF file [CIF]
data_GeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.964
_cell_length_b   6.965
_cell_length_c   11.970
_cell_angle_alpha   98.669
_cell_angle_beta   98.663
_cell_angle_gamma   118.821
_symmetry_Int_Tables_number   1
_cell_volume   485.880
_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  0.986  0.991  0.976  1.0
  Ge  Ge1  1  0.511  0.016  0.024  1.0
  Ge  Ge2  1  0.491  0.492  0.475  1.0
  Ge  Ge3  1  0.516  0.017  0.525  1.0
  Ge  Ge4  1  0.486  0.740  0.750  1.0
  Ge  Ge5  1  0.236  0.990  0.250  1.0
  S  S6  1  0.316  0.669  0.897  1.0
  S  S7  1  0.918  0.771  0.103  1.0
  S  S8  1  0.825  0.765  0.794  1.0
  S  S9  1  0.531  0.971  0.206  1.0
  S  S10  1  0.270  0.424  0.602  1.0
  S  S11  1  0.168  0.822  0.398  1.0
  S  S12  1  0.865  0.236  0.007  1.0
  S  S13  1  0.358  0.229  0.993  1.0
  S  S14  1  0.465  0.033  0.706  1.0
  S  S15  1  0.259  0.327  0.294  1.0
  S  S16  1  0.737  0.371  0.508  1.0
  S  S17  1  0.729  0.863  0.492  1.0
[/CIF]
.