The material described by CsSiBiS4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and three equivalent S(4) atoms. Si(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SiS4 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(3), one S(4), and two equivalent S(2) atoms to form distorted BiS5 square pyramids that share  a cornercorner with one Si(1)S4 tetrahedra,  an edgeedge with one Bi(1)S5 square pyramid, and edges with two equivalent Si(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Si(1), and one Bi(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Si(1), and two equivalent Bi(1) atoms. In the third S site, S(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Si(1), and one Bi(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_CsSiBiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.127
_cell_length_b   9.498
_cell_length_c   13.106
_cell_angle_alpha   71.912
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   843.313
_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  0.261  0.427  0.395  1.0
  Cs  Cs1  1  0.761  0.573  0.105  1.0
  Cs  Cs2  1  0.739  0.573  0.605  1.0
  Cs  Cs3  1  0.239  0.427  0.895  1.0
  Si  Si4  1  0.765  0.176  0.347  1.0
  Si  Si5  1  0.265  0.824  0.153  1.0
  Si  Si6  1  0.235  0.824  0.653  1.0
  Si  Si7  1  0.735  0.176  0.847  1.0
  Bi  Bi8  1  0.153  0.946  0.371  1.0
  Bi  Bi9  1  0.653  0.054  0.129  1.0
  Bi  Bi10  1  0.847  0.054  0.629  1.0
  Bi  Bi11  1  0.347  0.946  0.871  1.0
  S  S12  1  0.991  0.209  0.757  1.0
  S  S13  1  0.794  0.944  0.442  1.0
  S  S14  1  0.510  0.214  0.736  1.0
  S  S15  1  0.706  0.944  0.942  1.0
  S  S16  1  0.769  0.306  0.452  1.0
  S  S17  1  0.009  0.791  0.243  1.0
  S  S18  1  0.269  0.694  0.048  1.0
  S  S19  1  0.206  0.056  0.558  1.0
  S  S20  1  0.731  0.306  0.952  1.0
  S  S21  1  0.490  0.786  0.264  1.0
  S  S22  1  0.010  0.786  0.764  1.0
  S  S23  1  0.231  0.694  0.548  1.0
  S  S24  1  0.509  0.209  0.257  1.0
  S  S25  1  0.990  0.214  0.236  1.0
  S  S26  1  0.491  0.791  0.743  1.0
  S  S27  1  0.294  0.056  0.058  1.0
[/CIF]
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The material described by CsSiBiS4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and three equivalent S(4) atoms. Si(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SiS4 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(3), one S(4), and two equivalent S(2) atoms to form distorted BiS5 square pyramids that share  a cornercorner with one Si(1)S4 tetrahedra,  an edgeedge with one Bi(1)S5 square pyramid, and edges with two equivalent Si(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Si(1), and one Bi(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Si(1), and two equivalent Bi(1) atoms. In the third S site, S(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Si(1), and one Bi(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_CsSiBiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.127
_cell_length_b   9.498
_cell_length_c   13.106
_cell_angle_alpha   71.912
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   843.313
_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  0.261  0.427  0.395  1.0
  Cs  Cs1  1  0.761  0.573  0.105  1.0
  Cs  Cs2  1  0.739  0.573  0.605  1.0
  Cs  Cs3  1  0.239  0.427  0.895  1.0
  Si  Si4  1  0.765  0.176  0.347  1.0
  Si  Si5  1  0.265  0.824  0.153  1.0
  Si  Si6  1  0.235  0.824  0.653  1.0
  Si  Si7  1  0.735  0.176  0.847  1.0
  Bi  Bi8  1  0.153  0.946  0.371  1.0
  Bi  Bi9  1  0.653  0.054  0.129  1.0
  Bi  Bi10  1  0.847  0.054  0.629  1.0
  Bi  Bi11  1  0.347  0.946  0.871  1.0
  S  S12  1  0.991  0.209  0.757  1.0
  S  S13  1  0.794  0.944  0.442  1.0
  S  S14  1  0.510  0.214  0.736  1.0
  S  S15  1  0.706  0.944  0.942  1.0
  S  S16  1  0.769  0.306  0.452  1.0
  S  S17  1  0.009  0.791  0.243  1.0
  S  S18  1  0.269  0.694  0.048  1.0
  S  S19  1  0.206  0.056  0.558  1.0
  S  S20  1  0.731  0.306  0.952  1.0
  S  S21  1  0.490  0.786  0.264  1.0
  S  S22  1  0.010  0.786  0.764  1.0
  S  S23  1  0.231  0.694  0.548  1.0
  S  S24  1  0.509  0.209  0.257  1.0
  S  S25  1  0.990  0.214  0.236  1.0
  S  S26  1  0.491  0.791  0.743  1.0
  S  S27  1  0.294  0.056  0.058  1.0
[/CIF]
.