The material structure described by CsGeBiS4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. Ge(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form GeS4 tetrahedra that share  a cornercorner with one Bi(1)S5 square pyramid and edges with two equivalent Bi(1)S5 square pyramids. Bi(1) is bonded to one S(1), one S(2), one S(3), and two equivalent S(4) atoms to form distorted BiS5 square pyramids that share corners with two equivalent Bi(1)S5 square pyramids,  a cornercorner with one Ge(1)S4 tetrahedra, and edges with two equivalent Ge(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs(1), one Ge(1), and one Bi(1) atom. In the second S site, S(2) is bonded to three equivalent Cs(1), one Ge(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing SCs3GeBi trigonal bipyramids. In the third S site, S(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Ge(1), and one Bi(1) atom. In the fourth S site, S(4) is bonded in a distorted see-saw-like geometry to one Cs(1), one Ge(1), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGeBiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.031
_cell_length_b   6.703
_cell_length_c   19.192
_cell_angle_alpha   70.795
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   854.205
_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
  Cs  Cs0  1  0.745  0.706  0.035  1.0
  Cs  Cs1  1  0.255  0.294  0.965  1.0
  Cs  Cs2  1  0.755  0.706  0.535  1.0
  Cs  Cs3  1  0.245  0.294  0.465  1.0
  Ge  Ge4  1  0.722  0.199  0.838  1.0
  Ge  Ge5  1  0.778  0.199  0.338  1.0
  Ge  Ge6  1  0.222  0.801  0.662  1.0
  Ge  Ge7  1  0.278  0.801  0.162  1.0
  Bi  Bi8  1  0.193  0.239  0.224  1.0
  Bi  Bi9  1  0.693  0.761  0.276  1.0
  Bi  Bi10  1  0.807  0.761  0.776  1.0
  Bi  Bi11  1  0.307  0.239  0.724  1.0
  S  S12  1  0.524  0.020  0.139  1.0
  S  S13  1  0.745  0.408  0.406  1.0
  S  S14  1  0.981  0.996  0.848  1.0
  S  S15  1  0.839  0.410  0.221  1.0
  S  S16  1  0.976  0.020  0.639  1.0
  S  S17  1  0.245  0.592  0.094  1.0
  S  S18  1  0.755  0.408  0.906  1.0
  S  S19  1  0.339  0.590  0.279  1.0
  S  S20  1  0.255  0.592  0.594  1.0
  S  S21  1  0.476  0.980  0.861  1.0
  S  S22  1  0.661  0.410  0.721  1.0
  S  S23  1  0.161  0.590  0.779  1.0
  S  S24  1  0.024  0.980  0.361  1.0
  S  S25  1  0.019  0.004  0.152  1.0
  S  S26  1  0.519  0.996  0.348  1.0
  S  S27  1  0.481  0.004  0.652  1.0
[/CIF]
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The material structure described by CsGeBiS4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. Ge(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form GeS4 tetrahedra that share  a cornercorner with one Bi(1)S5 square pyramid and edges with two equivalent Bi(1)S5 square pyramids. Bi(1) is bonded to one S(1), one S(2), one S(3), and two equivalent S(4) atoms to form distorted BiS5 square pyramids that share corners with two equivalent Bi(1)S5 square pyramids,  a cornercorner with one Ge(1)S4 tetrahedra, and edges with two equivalent Ge(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs(1), one Ge(1), and one Bi(1) atom. In the second S site, S(2) is bonded to three equivalent Cs(1), one Ge(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing SCs3GeBi trigonal bipyramids. In the third S site, S(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Ge(1), and one Bi(1) atom. In the fourth S site, S(4) is bonded in a distorted see-saw-like geometry to one Cs(1), one Ge(1), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGeBiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.031
_cell_length_b   6.703
_cell_length_c   19.192
_cell_angle_alpha   70.795
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   854.205
_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
  Cs  Cs0  1  0.745  0.706  0.035  1.0
  Cs  Cs1  1  0.255  0.294  0.965  1.0
  Cs  Cs2  1  0.755  0.706  0.535  1.0
  Cs  Cs3  1  0.245  0.294  0.465  1.0
  Ge  Ge4  1  0.722  0.199  0.838  1.0
  Ge  Ge5  1  0.778  0.199  0.338  1.0
  Ge  Ge6  1  0.222  0.801  0.662  1.0
  Ge  Ge7  1  0.278  0.801  0.162  1.0
  Bi  Bi8  1  0.193  0.239  0.224  1.0
  Bi  Bi9  1  0.693  0.761  0.276  1.0
  Bi  Bi10  1  0.807  0.761  0.776  1.0
  Bi  Bi11  1  0.307  0.239  0.724  1.0
  S  S12  1  0.524  0.020  0.139  1.0
  S  S13  1  0.745  0.408  0.406  1.0
  S  S14  1  0.981  0.996  0.848  1.0
  S  S15  1  0.839  0.410  0.221  1.0
  S  S16  1  0.976  0.020  0.639  1.0
  S  S17  1  0.245  0.592  0.094  1.0
  S  S18  1  0.755  0.408  0.906  1.0
  S  S19  1  0.339  0.590  0.279  1.0
  S  S20  1  0.255  0.592  0.594  1.0
  S  S21  1  0.476  0.980  0.861  1.0
  S  S22  1  0.661  0.410  0.721  1.0
  S  S23  1  0.161  0.590  0.779  1.0
  S  S24  1  0.024  0.980  0.361  1.0
  S  S25  1  0.019  0.004  0.152  1.0
  S  S26  1  0.519  0.996  0.348  1.0
  S  S27  1  0.481  0.004  0.652  1.0
[/CIF]
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